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

MedAI: Evaluating TxAgent's Therapeutic Agentic Reasoning in the NeurIPS CURE-Bench Competition

arXiv:2512.11682v2 Announce Type: replace Abstract: Therapeutic decision-making in clinical medicine constitutes a high-stakes domain in which AI guidance interacts with complex interactions among patient characteristics, disease processes, and pharmacological agents. Tasks such as drug recommendation, treatment planning, and adverse-effect prediction demand robust, multi-step reasoning grounded in reliable biomedical knowledge. Agentic AI methods, exemplified by TxAgent, address these challenges through iterative retrieval-augmented generation (RAG). TxAgent employs a fine-tuned Llama-3.1-8B model that dynamically generates and executes function calls to a unified biomedical tool suite (ToolUniverse), integrating FDA Drug API, OpenTargets, and Monarch resources to ensure access to current therapeutic information. In contrast to general-purpose RAG systems, medical applications impose stringent safety constraints, rendering the accuracy of both the reasoning trace and the sequence of tool invocations critical. These considerations motivate evaluation protocols treating token-level reasoning and tool-usage behaviors as explicit supervision signals. This work presents insights derived from our participation in the CURE-Bench NeurIPS 2025 Challenge, which benchmarks therapeutic-reasoning systems using metrics that assess correctness, tool utilization, and reasoning quality. We analyze how retrieval quality for function (tool) calls influences overall model performance and demonstrate performance gains achieved through improved tool-retrieval strategies. Our work was awarded the Excellence Award in Open Science. Complete information can be found at https://curebench.ai/.

02.
arXiv (CS.AI) 2026-06-16

Agentomics: Economic Foundations for the Valuation, Attribution, and Pricing of AI Agents in Human-AI Workflows

Authors:

arXiv:2606.14769v1 Announce Type: cross Abstract: Agentic AI systems are increasingly being deployed as productive resources in organizational workflows, yet existing evaluation methods primarily measure isolated technical performance rather than economic contribution. This paper introduces Agentomics, a workflow-based framework for valuing, attributing, and pricing human and artificial agents. The framework models a workflow as a configuration of heterogeneous agents whose collective performance determines gross value, deployment cost, reliability, and expected failure loss. Workflow value is treated as a team-level quantity that may include complementarities, substitution effects, bottlenecks, and nonlinear production; additive stage-level value is only a special case. Building on this workflow model, the paper formulates AI deployment as a coalition-formation problem and defines coalition value as the incremental net surplus generated relative to a benchmark human workflow. The Shapley value is then used to attribute economic surplus among participating AI agents, yielding a principled connection among valuation, accountability, and market pricing. The resulting Shapley pricing equilibrium provides a normative benchmark for assessing whether agent prices reflect expected marginal contribution. A security-operations case study illustrates how the framework accounts for productivity gains, deployment costs, reliability losses, and coalition-level complementarities in hybrid human–AI workflows.

03.
arXiv (CS.CV) 2026-06-24

Hierarchical Spatial and Channel Aggregation for Cross-domain Few-shot Segmentation

Cross-domain Few-shot Segmentation (CD-FSS) aims to learn generalizable segmentation capability from abundant annotated samples in the source domain, enabling accurate segmentation of novel classes in the target domain with only a few annotated samples. Existing CD-FSS methods mainly focus on mitigating feature distribution shifts caused by style gaps while ignoring significant differences in class semantic granularity and discriminative attributes across domains, leading to two key degradations in support-query matching: semantic over-alignment and attribute over-alignment. To this end, we propose the Dual Hierarchical Aggregation Network (DHANet), which comprises three key modules. First, the Hierarchical Spatial Aggregation (HSA) module performs multi-scale region aggregation of pixel features along the spatial dimension, generating hierarchical semantic-enhanced features to alleviate semantic over-alignment. Additionally, the HCA module conducts multi-scale attribute aggregation along the channel dimension, generating hierarchical attribute-enhanced features to mitigate attribute over-alignment. Finally, we propose the Online Probabilistic Semantic Bank (OPSB), which progressively constructs and updates class probability distributions from query predictions during inference, and samples multiple pseudo-prototypes as additional support information to mitigate insufficient support. Extensive experiments on four target-domain datasets demonstrate that our method achieves state-of-the-art performance.

04.
arXiv (CS.CV) 2026-06-25

ASSCG: Just-Right Gating over Chattering for Fast-Slow LLM Planning in Autonomous Driving

Large language models (LLMs) can improve autonomous driving planning but are costly to query online, and existing fast-slow planners often rely on hand-designed triggering rules that either over-call the slow system or call it at the wrong times. We formulate slow-system invocation as a resource-aware sequential decision problem and propose the Adaptive Slow-System Control Gate (ASSCG), which makes frame-level Query/Cache/Drop decisions to refresh, reuse, or suppress slow guidance. ASSCG uses an RWKV backbone for efficient long-horizon gating and is trained with supervised fine-tuning followed by GRPO-style compute-aware reinforcement fine-tuning. We apply ASSCG to two different fast-slow architectures: (i) AsyncDriver on nuPlan Hard20 closed-loop evaluation, where ASSCG improves score to 67.28 (+2.28) while reducing average end-to-end inference latency by 60%; and (ii) a RecogDrive-based dual system that we build by replacing its original VLM-2B module with a lightweight ViT-based fast planner and adding an LLM slow planner, evaluated on NAVSIM, where ASSCG achieves 91.4 PDMS (+0.6) and increases average speed by 25%. The project page, including video visualizations and additional results, is available at https://williamxuanyu.github.io/asscg/.

05.
arXiv (CS.AI) 2026-06-15

TRACE: Trajectory-Routed Causal Memory for Delayed-Evidence Visuomotor Imitation

arXiv:2606.14551v1 Announce Type: cross Abstract: Robots under autonomous operation may require decisions based on evidence that is no longer visible. We study delayed-evidence tasks, where an early cue disappears before a later decision point, so visually similar observations can require different actions. In these settings, the current observation is not a sufficient state for control. We introduce TRAjectory-routed Causal Evidence (TRACE), a memory framework for visuomotor imitation policies. TRACE stores task-relevant visual and robot-state evidence, such as object identity, target choice, or route-dependent state, in a fixed-size latent memory that remains bounded over long episodes. Instead of indexing memory by raw time or manually provided task labels, TRACE uses path signatures: compact, order-sensitive features of the executed robot-state trajectory. These signatures do not store the visual cue itself; rather, they provide trajectory-conditioned keys for writing and retrieving the evidence stored when the cue was visible. When the robot later reaches an ambiguous observation, the policy conditions on TRACE memory to recover the missing context and choose the correct branch. TRACE attaches through lightweight adapters to policies, without changing the policy backbone, action head, or imitation objective. Across real-world long-horizon manipulation tasks with visually ambiguous branch points, TRACE improves branch selection and task success over alternative baselines, including short-history and recurrent memory. Project page: https://jeong-zju.github.io/trace

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

ASyMOB: Algebraic Symbolic Mathematical Operations Benchmark

Large language models (LLMs) are increasingly applied to symbolic mathematics, yet existing evaluations often conflate pattern memorization with genuine reasoning. To address this gap, we present ASyMOB, a high-resolution dataset of 35,368 validated symbolic math problems spanning integration, limits, differential equations, series, and hypergeometrics. Unlike prior benchmarks, ASyMOB systematically perturbs each seed problem using symbolic, numeric, and equivalence-preserving transformations, enabling a fine-grained assessment of generalization. Our evaluation reveals three key findings: (1) most models' performance collapses under minor perturbations, while top systems exhibit an apparent regime shift in robustness; (2) integrated code tools stabilize performance, particularly for weaker models; and (3) we identify examples where Computer Algebra Systems (CAS) fail while LLMs succeed, as well as problems solved only via a hybrid LLM-CAS approach, highlighting a promising integration frontier. ASyMOB serves as a principled diagnostic tool for measuring and accelerating progress toward building verifiable, trustworthy AI for scientific discovery.

07.
arXiv (CS.LG) 2026-06-15

Side-Channel Attacks Bypass Protection in 3D Printers

arXiv:2606.13952v1 Announce Type: cross Abstract: Active Motor Noise Cancellation (AMNC) ships in commercial fused deposition modeling (FDM) 3D printers as a hardware countermeasure against acoustic side-channel attacks that target intellectual property (IP). We present the first empirical evaluation of a deployed AMNC countermeasure, using a public dataset of synchronized acoustic and vibration recordings from two AMNC-equipped Bambu Lab printers across 12 object classes. AMNC fully neutralizes the acoustic channel: classification accuracy is indistinguishable from the 8.33% random baseline. The vibration channel, which AMNC does not target, still leaks. With summary statistics the leak is coarse and amplitude-driven (vibration accuracy approximately 31% pooled, 36-47% within-printer), while the waveform shape carries essentially nothing (frequency-only features at chance). A full-sequence temporal model that ingests the ordered evolution of the print raises accuracy to approximately 61%, and an order-shuffling control (approximately 33%) shows that a substantial component is genuinely sequential and tied to print progression. The leak is device-specific: a classifier trained on one printer transfers near chance to the other. We conclude that AMNC is an acoustic-only defense: vibration remains a partial, geometry-correlated side channel it does not address, but one that does not, on this dataset, support full geometric reconstruction; reconstruction-grade attacks would require the magnetic or power channels AMNC also leaves untouched. We release all code.

08.
arXiv (quant-ph) 2026-06-12

Path integral control of open quantum systems

arXiv:2410.18635v4 Announce Type: replace Abstract: We investigate open-loop quantum state preparation for a class of open quantum systems whose dynamics follow a Gorini-Kossakowski-Lindblad-Sudarshan (GKLS) master equation that admits a trajectory-based stochastic representation. The deterministic control objective is reformulated as a stochastic optimal control problem – interpreting stochasticity as a methodological tool akin to stochastic Schrödinger equation unravelings – which situates the problem within the path integral control framework. For the class of GKLS generators under consideration, this reformulation leads to an explicit expression for the optimal control as a weighted average over stochastic quantum trajectories, thereby eliminating the need for gradient evaluations. Building on this theoretical result, we derive a control update rule for piecewise-constant control pulses and demonstrate that adaptive importance sampling progressively enhances the control estimator during optimization, culminating in the algorithm we term Path integral Quantum Control (PiQC). We further introduce an annealed variant of PiQC, wherein a synthetic noise schedule gradually steers open-system trajectories toward closed-system dynamics, enabling high-fidelity unitary state preparation. Numerical studies on a dissipative single-qubit system and a multi-qubit Nuclear Magnetic Resonance model verify that PiQC yields precise open-loop controls and displays robustness to Hamiltonian perturbations. We propose PiQC as a trajectory-based alternative to gradient-based approaches, which might offer a viable solution in quantum control problems where gradient computation is infeasible or computationally demanding.

09.
arXiv (CS.LG) 2026-06-11

Holding the FP8 Quality Ceiling at 8-Bit Weights and Activations: INT8 and GGUF Post-Training Quantization of Ideogram 4.0 for Consumer GPUs

arXiv:2606.12280v1 Announce Type: new Abstract: Post-training quantization lets large text-to-image diffusion transformers run on consumer GPUs, yet the hardware-specific trade-offs are seldom measured directly. We quantize Ideogram 4.0 - a 9.3B flow-matching diffusion transformer (DiT), shipped as two separate-weight copies of a single-stream 34-layer backbone for classifier-free guidance and conditioned by a Qwen3-VL-8B encoder - for Ampere RTX 3090 GPUs, which lack FP8 tensor cores. Our INT8 W8A8 recipe (per-channel weights, per-token dynamic activations, SmoothQuant, and mixed-precision protection of a small high-fragility layer set) holds the FP8 quality ceiling: on a 200-prompt benchmark the paired same-seed bootstrap CI for INT8-FP8 includes zero on both Pick and CLIP, while INT8 improves on NF4 by $+1.9$ CLIP (95% CI $[+1.21,+2.64]$, excluding zero). A per-category OCR analysis, to our knowledge unreported for this model class, confirms text legibility is preserved, and an ablation isolates protection of the FFN down-projections as the dominant quality lever. Our GGUF Q4_K quantization beats NF4 at equal on-disk size and is the Pareto winner on the quality-memory frontier, with paired confidence intervals excluding zero (Q8_0 is quality neutral). Finally, we characterize where 8-bit quantization helps and where it does not: INT8's weights match FP8's footprint rather than shrink it, so a speed gain on Ampere awaits a fused INT8 kernel.

10.
arXiv (CS.LG) 2026-06-15

Can Deep Neural Networks Improve Compression of Very Large Scientific Data?

arXiv:2606.14353v1 Announce Type: new Abstract: Error-bounded lossy compression is a fundamental technique for managing the rapidly growing volumes of scientific data produced by modern simulations and observational instruments. Most state-of-the-art-compressors follow a prediction-residual paradigm, where compression effectiveness depends on the quality of the predictor: more accurate predictions generate smaller residuals that are easier to compress. This observation raises a question: can modern machine learning models serve as superior predictors for scientific data compression? Answering this question directly is challenging because developing compression-specific ML predictors requires substantial resources. Instead, we leverage the climate domain where highly accurate pretrained weather forecasting foundation models already exist, making them an ideal testbed. We present a framework that integrates spatial and temporal deep learning models into a conventional error-bounded compression pipeline. The framework supports auto-regressive forecasting models and avoids error accumulation. Using ERA5 climate data as a representative large-scale scientific dataset, we evaluate three distinct ML predictors: a VAEformer-based codec (CRA5), a graph neural network forecaster (GraphCast), and a vision-transformer forecaster (Aurora), against the state-of-the-art compressor SZ3.1 under identical quantization and entropy-coding backends. Our evaluation over approximately 1.7 TB of data reveals a surprising result: although ML predictors generate more accurate predictions and can improve reconstruction quality by up to 91% while achieving up to 9.6x higher compression ratios for highly predictable variables, they do not improve overall dataset-level compression ratio. We show that prediction accuracy alone is insufficient: the spatial structure of the resulting residuals plays a decisive role in entropy coding efficiency.

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

Making Foresight Actionable: Repurposing Representation Alignment in World Action Models

World Action Models (WAMs) offer a promising route for robot manipulation by using video generation models to model future scene evolution before producing control actions. However, our empirical observations reveal a phenomenon: generating plausible visual futures does not always guarantee the extraction of accurate actions. To diagnose this failure, we conduct action-head attention analysis and causal interventions. We find that the action decoder fails to focus on task-relevant interaction regions and remains sensitive to perturbations in task-irrelevant areas. This reveals a representation mismatch: hidden states optimized for visual reconstruction are not inherently organized in a form useful for low-level action control. In this paper, we propose AGRA, an Action-Grounded Representation Alignment objective that regularizes the world-action interface by aligning intermediate video diffusion features with spatially coherent semantic representations from a foundation visual encoder. We evaluate AGRA on real-world manipulation tasks. Experiments show that AGRA makes world model representations more action-grounded: by focusing the action decoder on the correct interaction regions, it improves object localization accuracy and affordance understanding, and makes the policy more robust to perturbations in task-irrelevant regions. As a result, AGRA consistently improves both in-distribution performance and out-of-distribution generalization over the baseline world action model.

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

High-Fidelity 4D Hand-Object Capture via Multi-View Spatiotemporal Tracking and Physics-Aware Gaussians

The growing demand for high-fidelity 4D hand-object interaction (HOI) data in embodied AI and spatial computing is currently bottlenecked by the reliance on pre-scanned object templates and physical markers. While recent methods have demonstrated promising results in reconstructing 4D hand-object interaction from videos, they are highly sensitive to initial estimates of hand and object poses. Yet, estimating these poses from images is challenging, in particular under severe occlusion which is inherent in hand-object interaction scenarios. We propose a novel system for the robust and accurate reconstruction of hands and objects from synchronized and calibrated multi-view videos without requiring any templates or markers. Our system consists of two main components with key innovations: (1) a multi-view feed-forward transformer model that aggregates cross-view geometry and temporal cues to provide a reliable, metric-consistent initialization for both poses and dense object geometry, and (2) a hand-object physics-aware Gaussian-based optimization framework to refine the initial estimates, integrating tetrahedral constraints, collision refinement, and appearance decomposition to produce physically plausible and visually accurate reconstruction. Validated on public benchmarks and an extensive internal dataset, our pipeline achieves highly robust, artifact-free reconstruction, providing an efficient foundation for automated 4D asset generation. Our project page are available at https://zyshen021.github.io/HOSTPG/.

13.
arXiv (CS.AI) 2026-06-16

TS-Memory: Plug-and-Play Memory for Time Series Foundation Models

arXiv:2602.11550v2 Announce Type: replace-cross Abstract: Time Series Foundation Models (TSFMs) achieve strong zero-shot forecasting through large-scale pre-training, but adapting them to downstream domains under distribution shift remains challenging. Existing solutions face a trade-off: Parametric Adaptation can cause catastrophic forgetting and requires costly multi-domain maintenance, while Non-Parametric Retrieval improves forecasts but incurs high inference latency due to datastore search. We propose Parametric Memory Distillation and implement it as TS-Memory, a lightweight memory adapter that augments frozen TSFMs. TS-Memory is trained in two stages. First, we construct an offline, retrieval-leakage-safe kNN teacher that synthesizes confidence-aware quantile targets from retrieved futures. Second, we distill this retrieval-induced distributional correction into a lightweight memory adapter via confidence-gated supervision. During inference, TS-Memory fuses memory and backbone predictions with constant-time overhead, enabling retrieval-free deployment. Experiments across diverse TSFMs and benchmarks demonstrate consistent improvements in both point and probabilistic forecasting over representative adaptation methods, with efficiency comparable to the frozen backbone. Code: https://github.com/sisuolv/TS-Memory.

14.
arXiv (CS.LG) 2026-06-12

To GAN or Not To GAN: Segmentation Analysis on Mars DEM

arXiv:2606.13252v1 Announce Type: new Abstract: To better understand Martian Surface, which is needed to enable Rovers navigate Mars with ease, it is necessary to be able to determine the location of mounds. Detecting and studying these morphologies can also help us find evidence of extraterrestrial life, in this case, more specifically, water or signs of life conducive environments. Detection of mounds was done by manually mapping morphological parameters onto Digital Elevation Models. This paper solves the problem by automatically detecting and or predicting mounds on Mars using Neural Network based Semantic Segmentation methodologies. This is done by using supervised semantic segmentation model and generative adversarial approach. A comparison of the approaches shows that adding extra artificially generated data did not improve the result.

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

DriveStack-VLA: Render-Teacher Alignment for BEV-Based DeepStack Vision-Language-Action Model

Vision-Language-Action driving models convert a pretrained Vision-Language Model into a driving policy, allowing them to use world knowledge and follow language guidances. However, existing VLA driving models still lack driving-oriented spatial intelligence: their policies are mainly grounded on perspective image tokens and language priors, while precise motion planning requires metric geometry, top-down scene structure, and attention to safety-critical perceptual cues. This limitation makes current models vulnerable to weak visual geometry modeling and perceptual coverage in expert demonstrations. In this paper, we present DriveStack-VLA, a framework built upon a large VLM backbone. To strengthen the spatial grounding of VLA driving, we develop dual visual modeling components. We inject a Bird-Eye-View representation into the Large Language Model decoder through a DeepStack-style connection, and propose Render-Teacher Alignment to align the perceptual focus of real images with that of rasterized images. Furthermore, to bridge the gap in multimodal trajectory selection, we introduce a head-based self-critique module that ranks sampled trajectories and conditionally refines the best one. DriveStack-VLA achieves 91.6 PDMS on NAVSIMv1, 91.0 EPDMS on NAVSIMv2 (with the human penalty filter enabled), and a driving score of 79.49 with a success rate of 56.36\% on the closed-loop Bench2Drive. More visualizations are available on our project page: https://anonymous.4open.science/w/drivestack-vla/.

17.
medRxiv (Medicine) 2026-06-24

Beyond Nodal Status: Interactions Between Molecular Subtype, Tumor Burden, and Survival in 12,225 Patients with Breast Cancer

Background Lymph node status and molecular subtype are among the most established prognostic factors in breast cancer. However, the extent to which their prognostic effects vary across different tumor size categories and clinical subgroups remains incompletely understood. We investigated the interplay between nodal status, molecular subtype, and tumor size in a large real world breast cancer cohort and developed a prognostic nomogram for individualized survival prediction. Methods A total of 12,225 women with invasive breast cancer from the Shiraz Breast Cancer Registry were analyzed. Patients were stratified according to tumor size, lymph node status, and molecular subtype. Overall survival (OS) and disease free survival (DFS) were evaluated using Kaplan Meier analyses and subgroup comparisons. Logistic regression was performed to identify predictors of lymph node involvement, while Cox regression was used to determine independent prognostic factors. A nomogram was subsequently developed and internally validated for prediction of 3-year and 5-year OS. Results Of 12,225 patients, 41.7% had lymph node positive disease. Across nearly all tumor size categories and molecular subtypes, nodal involvement was associated with significantly worse OS and DFS. Notably, the survival disadvantage associated with nodal positivity was more pronounced among patients with larger tumors and among those with HER2 positive and triple negative breast cancer (TNBC). Although TNBC demonstrated the lowest rate of lymph node involvement among molecular subtypes (adjusted OR 0.54, 95% CI 0.46-0.63), it appeared to show one of the largest survival gaps between node positive and node negative disease. In the overall cohort, survival outcomes generally ranked from best to worst as Luminal A, Luminal B, HER2 positive, and TNBC. However, survival differences among molecular subtypes were not consistently observed across all tumor size and nodal status subgroups. When significant differences were present, Luminal A and Luminal B tumors consistently showed superior outcomes compared with HER2 positive and TNBC tumors. Multivariable analysis identified lymph node status, tumor size, molecular subtype, lymphovascular invasion, tumor necrosis, type of surgery, radiotherapy, hormone therapy, and adjuvant chemotherapy as independent prognostic factors. A nomogram integrating clinicopathological and treatment variables demonstrated good predictive performance, with time dependent AUCs of 0.749 and 0.751 for 3 year and 5 year OS, respectively, and showed good calibration. Conclusions The prognostic impact of lymph node status is not uniform across breast cancer subgroups and appears particularly pronounced in larger tumors and biologically aggressive subtypes. Despite a lower likelihood of nodal involvement, TNBC showed substantial outcome deterioration when nodal metastasis was present. These findings highlight the importance of jointly considering nodal status, molecular subtype, and tumor burden in prognostic assessment.

18.
arXiv (CS.AI) 2026-06-25

Towards Understanding The Calibration Benefits of Sharpness-Aware Minimization

arXiv:2505.23866v2 Announce Type: replace-cross Abstract: Deep neural networks have been increasingly used in safety-critical applications such as medical diagnosis and autonomous driving. However, many studies suggest that they are prone to being poorly calibrated and have a propensity for overconfidence, which may have disastrous consequences. In this paper, unlike standard training such as stochastic gradient descent, we show that the recently proposed sharpness-aware minimization (SAM) counteracts this tendency towards overconfidence. The theoretical analysis suggests that SAM allows us to learn models that are already well-calibrated by implicitly maximizing the entropy of the predictive distribution. Inspired by this finding, we further propose a variant of SAM, coined as CSAM, to ameliorate model calibration. Extensive experiments on various datasets, including ImageNet-1K, demonstrate the benefits of SAM in reducing calibration error. Meanwhile, CSAM performs even better than SAM and consistently achieves lower calibration error than other approaches

19.
arXiv (CS.LG) 2026-06-12

Detecting Explanatory Insufficiency in Learned Representations: A Framework for Representational Vigilance

arXiv:2606.13172v1 Announce Type: new Abstract: Learned representations are central to modern machine learning and are commonly evaluated through predictive performance, robustness, uncertainty estimation, or generalization. However, a learned representation may remain operationally successful while progressively failing to organize persistent residual structures that are not fully captured by conventional evaluation metrics. This article introduces VER, the Vigilant Evaluator of Representations, a conceptual framework for monitoring representational adequacy in learned representations. VER does not propose a new learning algorithm, loss function, or model architecture. Instead, it formalizes a diagnostic process through which persistent residual structures may be identified, analyzed, and interpreted as potential indicators of explanatory insufficiency. The framework distinguishes representational inadequacy from ordinary prediction error, uncertainty, noise, and distribution shift. It introduces a monitoring sequence based on representation identification, explanatory-domain delimitation, residual-structure detection, explanatory-resistance evaluation, and vigilance signaling. VER is intended as a contribution to representation diagnostics in machine learning. Its objective is not to replace existing evaluation methods but to complement them by treating representational adequacy as an explicit object of inquiry. A path toward empirical evaluation through representational-vigilance benchmarks is also outlined.

20.
bioRxiv (Bioinfo) 2026-06-23

Multi-Scale Machine Learning for Antibody-Antigen Binding Affinity Prediction Using Deep Mutational Scanning and Structural Features

Authors:

Predicting how mutations alter antibody-antigen binding affinity is essential for antibody engineering and vaccine design, yet current methods generalize poorly to unseen complexes. We present a multi-scale machine learning framework integrating 93 descriptors across four modalities: physicochemical, structural, ESM-2 protein language model, and solvent-accessible surface area (SASA)/{Delta}{Delta}G_fold features. Under leave-one-complex-out deep mutational scanning (LOCO-DMS) cross-validation on AbAgym (36,541 mutations, 68 experiments, 13 pathogens), gradient boosting achieved MCC = 0.206; a confidence-stratified ensemble reached MCC = 0.374 (83.5% accuracy, 25.5% coverage). No single modality exceeds the majority baseline alone; only multi-scale fusion succeeds. Boltzmann ceiling analysis shows 45.9% of mutations are near-neutral (|{Delta}{Delta}G| < k_BT), bounding theoretical maximum MCC at 0.473; our method achieves 79.1% of this limit. Five deep learning architectures benchmarked under LOCO-DMS showed self-attention matching gradient boosting (MCC = 0.200). Cross-pathogen transfer failed systematically (mean 46.7%), confirming universal binding predictors remain an open challenge.

21.
arXiv (CS.CV) 2026-06-24

Are Text-to-Image Models Inductivist Turkeys? A Counterfactual Benchmark for Causal Reasoning

Text-to-image (T2I) generation models have achieved remarkable progress in producing visually realistic images from natural language prompts. Yet it remains unclear whether their success reflects genuine causal understanding or sophisticated pattern matching over visual-textual correlations. Inspired by Russell's inductivist turkey, we introduce Counterfactual-World (CF-World), a counterfactual benchmark designed to investigate whether text-to-image models can generate images under rules that systematically contradict real-world priors. CF-World organizes each scenario into three progressive levels: factual generation under ordinary world knowledge, explicit counterfactual generation with direct visual instructions, and implicit counterfactual generation requiring causal deduction from altered rules. We evaluate both open-source and closed-source T2I models using a Vision Language Model (VLM)-based evaluator (CF-Eval). Furthermore, we introduce two metrics: Prior Resistance Rate (PRR), which measures a model's ability to overcome entrenched real-world priors, and Reasoning Retention Rate (RRR), which assesses whether models can maintain reasoning-dependent counterfactual generation without explicit visual cues. Experiments show that all models exhibit sharp degradation from factual to counterfactual settings. Further analyses suggest that these failures arise because current T2I models encode world knowledge and visual appearances as tightly coupled patterns. Consequently, their heavy reliance on frequent visual co-occurrences within the training data forces them to default to familiar commonsense priors when tasked with rendering counterfactual worlds.

22.
arXiv (quant-ph) 2026-06-15

Trap-Quenched Matter-Wave Optics for Dual Species Lensing

arXiv:2606.14577v1 Announce Type: cross Abstract: Dual-species atom interferometry in space promises precise tests of the Universality of Free Fall (UFF), with a sensitivity that grows quadratically with the extended interrogation time accessible in weightlessness. These tests demand exquisite control over the expansion energies of both condensed sources as well as over their differential center-of-mass dynamics. We propose a trap-quenched collimation technique featuring in-trap excitations of collective modes compatible with state-of-the-art atom-chip setups. Using NASA's Cold Atom Laboratory aboard the International Space Station, we demonstrate it on a single-species $^{87}$Rb condensate. By controlling the center-of-mass release dynamics we observe free expansion times up to 700 ms and measure a two-dimensional expansion energy of $k_B \cdot 78\pm 9 \;\mathrm{pK}$ in the imaging plane. A detailed model of the magnetically-induced dynamics indicates that this corresponds to a two-dimensional expansion energy of about $k_B \cdot 15^{+12}_{-5}\; \mathrm{pK}$ along two of the condensate's eigenaxes. Finally, we theoretically study this trap-quenched collimation scheme for a $^{41}$K-$^{87}$Rb mixture, predicting a simultaneous collimation that meets the expansion energy requirements for a state-of-the-art UFF test at the $10^{-15}$ accuracy level.

23.
arXiv (CS.CV) 2026-06-12

InterleaveThinker: Reinforcing Agentic Interleaved Generation

Recent image generators have demonstrated impressive photorealism and instruction-following capabilities in single-image generation and editing. However, constrained by their architectures, they cannot achieve interleaved generation (text-image sequence), which has crucial applications in visual narratives, guidance, and embodied manipulation. Even the latest open-source Unified Multimodal Models (UMMs) exhibit limited performance in this regard. In this paper, we introduce InterleaveThinker, the first multi-agent pipeline designed to endow any existing image generator with interleaved generation capabilities. Specifically, we employ a planner agent to organize the image-text input sequence, instructing the image generator on the required execution at each step. Subsequently, we introduce a critic agent to evaluate the generator's outputs, identify samples that deviate from the planned instructions, and refine the instructions for regeneration. To implement this pipeline, we construct the Interleave-Planner-SFT-80k and Interleave-Critic-SFT-112k to perform a format cold-start. Then we develop Interleave-Critic-RL-13k to reinforce the step-wise instruction correction capability within a generation trajectory using GRPO. Since a single interleaved generation trajectory may involve over 25 generator calls, optimizing the entire trajectory is computationally impractical. Therefore, we propose accuracy reward and step-wise reward, allowing single-step RL to effectively guide the entire generation trajectory. The results show that InterleaveThinker improves performance across various image generators. On interleaved generation benchmarks, it achieves performance comparable to Nano Banana and GPT-5. Surprisingly, it also significantly enhances the base model on reasoning-based benchmarks; for example, on 4-step FLUX.2-klein, we observe substantial gains on WISE and RISE.

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

Localized Kernel Projection Outlyingness: A Two-Stage Approach for Multi-Modal Outlier Detection

arXiv:2510.24043v4 Announce Type: replace Abstract: This paper presents Two-Stage LKPLO, a novel multi-stage outlier detection framework that overcomes the coexisting limitations of conventional projection-based methods: their reliance on a fixed statistical metric and their assumption of a single data structure. Our framework uniquely synthesizes three key concepts: (1) a generalized loss-based outlyingness measure (PLO) that replaces the fixed metric with flexible, adaptive loss functions like our proposed SVM-like loss; (2) a global kernel PCA stage to linearize non-linear data structures; and (3) a subsequent local clustering stage to handle multi-modal distributions. Comprehensive 5-fold cross-validation experiments on 10 benchmark datasets, with automated hyperparameter optimization, demonstrate that Two-Stage LKPLO achieves state-of-the-art performance. It significantly outperforms strong baselines on datasets with challenging structures where existing methods fail, most notably on multi-cluster data (Optdigits) and complex, high-dimensional data (Arrhythmia). Furthermore, an ablation study empirically confirms that the synergistic combination of both the kernelization and localization stages is indispensable for its superior performance. This work contributes a powerful new tool for a significant class of outlier detection problems and underscores the importance of hybrid, multi-stage architectures.