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01.
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.

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

Dimension-Free Convergence of Discrete Diffusion Models: Adjoint Equations Induce the Right Space

arXiv:2605.17232v2 Announce Type: replace Abstract: Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge under singular priors such as the masked distribution, while bounds in total variation (TV) depend on the state space size $S$ and become vacuous for modern language tasks, where vocabularies contain hundreds of thousands of tokens. We develop a unified adjoint-equation-based framework that establishes dimension-free convergence guarantees in any integral probability metric (IPM). To the best of our knowledge, our bounds are the first to be entirely free of $S$ and applicable to both masked and uniform priors. Importantly, our theory relies only on a single standard rate-matrix regularity assumption and applies to general priors. Five novel techniques drive our improvements: working in the space of observables via adjoint equations rather than directly with probability measures, a regularity analysis that yields bounds on any IPM, a coupling argument that removes $S$-dependence under uniform transitions, and score-marginal cancellation and exit-routing techniques that remove $S$-dependence under masked transitions. Our framework thus sharply departs from prior analyses and avoids the shortcomings of pathspace-KL and existing TV-based approaches. Beyond convergence bounds, our framework provides a versatile toolkit for further theoretical study of discrete diffusion models, including principled choices of loss functions and dimension-free step complexity.

03.
arXiv (math.PR) 2026-06-18

On a class of unbalanced step-reinforced random walks

arXiv:2504.14767v4 Announce Type: replace Abstract: A step-reinforced random walk is a discrete-time stochastic process with long-range dependence. At each step, with a fixed probability $\alpha$, the so-called positively step-reinforced random walk repeats one of its previous steps, chosen randomly and uniformly from its entire history. Alternatively, with probability $1-\alpha$, it makes an independent move. For the so-called negatively step-reinforced random walk, the process is similar, but any repeated step is taken with its direction reversed. These random walks have been introduced respectively by Simon (1955) and Bertoin (2024) and are sometimes refered to the self-confident step-reinforced random walk and the counterbalanced step-reinforced random walk respectively. In this work, we introduce a new class of unbalanced step-reinforced random walks for which we prove the strong law of large numbers and the central limit theorem. In particular, our work provides a unified treatment of the elephant random walk introduced by Schutz and Trimper (2004) and the positively and negatively step-reinforced random walks.

04.
arXiv (CS.CV) 2026-06-18

Recognizing and Reconstructing a Multi-Unit Floor Plan

Digital twins have a major potential to form a significant part of urban management in emergency planning, as they allow more efficient designing of the escape routes, better orientation in exceptional situations, and faster rescue intervention. Nevertheless, creating the twins still remains a largely manual effort, due to a lack of 3D-representations, which are available only in limited amounts for some new buildings. Thus, in this paper we aim to synthesize 3D information from commonly available 2D architectural floor plans. We propose two novel pixel-wise segmentation methods based on the MDA-Unet and MACU-Net architectures with improved skip connections, an attention mechanism, and a training objective together with a reconstruction part of the pipeline, which vectorizes the segmented plans to create a 3D model. The proposed methods are compared with two other state-of-the-art techniques and several benchmark datasets. On the commonly used CubiCasa benchmark dataset, our methods have achieved the mean F1 score of 0.86 over five examined classes, outperforming the other pixel-wise approaches tested. We have also made our code publicly available to support research in the field.

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

Net-Ev$^2$: A Generative Simulator for Network Event Evolution

arXiv:2606.12494v1 Announce Type: new Abstract: Reducing real-world trial and error has long been a central goal of decision making, and generative simulators advance this goal by modeling the evolution of future states. An even more challenging yet meaningful task is simulating how disturbance events (e.g., accidents) propagate their impacts across real-world networks. The existing approaches fall short of modeling both structured attributes and unstructured semantics of events, and capturing topological structures in simulating network event evolution. Therefore, we are motivated to propose Net-Ev$^2$ ($\underline{Net}$work $\underline{Ev}$ent $\underline{Ev}$olution), a novel generative simulator that jointly leverages event cues while preserving network topology in simulations. Specifically, the framework consists of two stages, namely structure-guided masked pre-training and topology-aware diffusion process, which is achieved by U-Net-like graph downsampling and upsampling during denoising. At inference time, Net-Ev$^2$ can generate simulations using natural-language event input only, with greater flexibility for practical usage. Furthermore, we introduce Net-Ev$^2$-6.5M, a multimodal benchmark of aligned event and network traffic data across four large-scale road networks, as well as a new topology-aware metric, namely JL-MMD, to evaluate topological fidelity in generated network dynamics. Extensive experiments demonstrate the state-of-the-art performance and strong generalization ability of Net-Ev$^2$. Code is made available at https://github.com/Guangyu4/Net-Ev-2.

06.
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.

07.
bioRxiv (Bioinfo) 2026-06-20

SAbDab2: The structural antibody database in the age of machine learning

The Structural Antibody Database (SAbDab) is a publicly available repository of experimentally determined antibody structures, first released in 2013. Explicit support for single-domain antibodies was added in 2021, with SAbDab-nano. Recently, increasing interest in antibodies has led to a proliferation of novel antibody formats, while simultaneous advances in machine learning have increased demand for standardised, high-quality structure data. Here, we present SAbDab2, re-engineered for the machine-learning age. It introduces support for a variety of new formats, and makes it easy to retrieve and compare all known structures of a given antibody. In addition, SAbDab2 provides ready access to ML-grade structures of antibody and antibody–antigen-complexes, with standardised, versioned train/test splits. These will be updated every six months going forward, and are available at https://zenodo.org/records/20083995. SAbDab2 itself is updated weekly and is freely available at https://sabdab2.opig.stats.ox.ac.uk.

08.
arXiv (CS.LG) 2026-06-17

Toward Controllable Catalyst Inverse Design via Large-Scale Autoregressive Pretraining

arXiv:2606.17445v1 Announce Type: new Abstract: Inverse design of heterogeneous catalysts remains challenging because catalyst surfaces exhibit substantial structural complexity with coupled surface-adsorbate interactions across a vast chemical space that is difficult to explore efficiently through conventional screening alone. Although machine learning-based high-throughput screening has accelerated catalyst discovery, its efficiency inevitably declines as the search space grows, motivating the development of generative models that can directly construct catalysts with target properties. Here, we present a conditional catalyst generative model based on the Generative Pretrained Transformer architecture with a numerical embedding layer that enables the generation of catalyst structures conditioned on both categorical and continuous properties within a single autoregressive framework. The model was pretrained on 133 million catalyst structures and subsequently fine-tuned on approximately 460,000 optimized structures with associated categorical properties and binding energies for conditional generation. The resulting model achieved 98% structural validity, 95% optimization validity, and high categorical condition fidelity, with a 93 % joint match rate for adsorbate type and composition. For binding energy conditioning, the match rate of approximately 20% represents a four-fold improvement over the baseline training distribution, and the generated distributions shift systematically toward the target values, enabling a 1.5 to 4-fold improvement in screening efficiency for reaction-targeted catalyst discovery without additional fine-tuning. These results show that large-scale autoregressive pre-training, combined with explicit property conditioning, provides a practical route toward controllable catalyst generation and accelerated catalysts discovery.

09.
arXiv (CS.LG) 2026-06-19

Stabilizing Bandits using Regularization: Precise Regret and A Quantitative Central Limit Theorem

arXiv:2603.10184v2 Announce Type: replace-cross Abstract: Statistical inference with bandit data presents fundamental challenges owing to adaptive sampling, which violates the independence assumptions underlying classical asymptotic theory. Recent work has identified stability~\citep{laiwei82} as a sufficient condition for valid inference under adaptivity. This paper first provides a refined stability condition, stated in terms of the iterates of an online algorithm, and shows that a large class of regularized stochastic-mirror-descent-style algorithms satisfy it. This refined condition allows us to strengthen the asymptotic results of~\citet{laiwei82} in several ways. First, we derive a non-asymptotic Berry–Esseen bound for the empirical reward estimates under adaptive sampling. Second, we derive matching non-asymptotic upper and lower bounds on the regret of the proposed algorithm, yielding a precise characterization of its regret. Third, we show that these regularized algorithms preserve asymptotic normality and valid inference under a prescribed level of adversarial corruption. Finally, we show that regularization is necessary rather than incidental: Lai–Wei stability is incompatible with the optimal $O(\sqrt{T})$ regret rate – the rate attained by unregularized algorithms such as EXP3 – so that a controlled, polylogarithmic inflation in regret is the price of valid inference.

10.
arXiv (CS.LG) 2026-06-11

Machine-learning-based multipoint optimization of fluidic injection parameters for improving nozzle performance

arXiv:2409.12707v2 Announce Type: replace-cross Abstract: Fluidic injection offers a promising solution to improve the performance of the overexpanded single expansion ramp nozzles (SERNs) during vehicle acceleration. However, determining the injection parameters that yield the best overall performance across multiple nozzle operating conditions remains a challenge. The gradient-based optimization method requires gradients of injection parameters at each design point, which can lead to high computational costs when using computational fluid dynamics (CFD) simulations. This paper uses a pretrained neural network to replace CFD during optimization, enabling quick calculation of the nozzle flow field at multiple design points. Considering the physical characteristics of the nozzle flow field, a prior-based prediction strategy is adopted to enhance the model's accuracy. In addition, the neural network's back-propagation algorithm computes gradients quickly by running the computation only once, thereby greatly reducing gradient computation time compared to the finite difference method. As a test case, the average nozzle thrust coefficient of an SERN at seven design points is optimized, resulting in a 1.14\% improvement. The time cost is greatly reduced compared with traditional optimization methods, even when the time required to establish the training database is included.

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

Deep Neural Networks: A Formulation Via Non-Archimedean Analysis

arXiv:2402.00094v3 Announce Type: replace-cross Abstract: We introduce a new class of deep neural networks (DNNs) with multilayered tree-like architectures. The architectures are codified using numbers from the ring of integers of non-Archimdean local fields. These rings have a natural hierarchical organization as infinite rooted trees. Natural morphisms on these rings allow us to construct finite multilayered architectures. The new DNNs are robust universal approximators of real-valued functions defined on the mentioned rings. We also show that the DNNs are robust universal approximators of real-valued square-integrable functions defined in the unit interval.

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

"Did you lie?" Evaluating Lie Detectors across Model Scale and Belief-Verified Model Organisms

arXiv:2606.12618v1 Announce Type: new Abstract: Robust lie detectors for language models could enable powerful techniques for auditing, monitoring, and post-hoc investigation of model behaviour, but evaluating them requires testbeds where models verifiably believe the opposite of what they say. We show that existing trained model organisms often fail this requirement, leaving prior positive and negative detection results difficult to interpret. We address this with 13 reasoning model organisms whose hidden beliefs are verified in chain-of-thought and shown to generalise to held-out tasks, alongside Varied Deception, a prompted-lying testbed covering a broad range of lie-inducing motivations. On these testbeds we evaluate four detectors: a chain-of-thought judge, a logprob classifier, and two activation probes, including Did-You-Lie (DYL), a new method for training follow-up probes. On prompted lying, across 31 open-weight models spanning 2B to 1T parameters, all four detectors show positive scaling with model capability. However, every activation- and logprob-based detector drops sharply on our trained model organisms, with DYL retaining the most signal; only the chain-of-thought judge remains strong, with 0.82 balanced accuracy, partly as an artefact of our verification process favouring CoT-readable beliefs. Current lie detectors therefore cannot support high-confidence claims about model beliefs, and we suggest research directions that may address some of their current limitations. We release our datasets, model organisms, and trained detectors.

13.
arXiv (CS.CV) 2026-06-15

Representation Forcing for Bottleneck-Free Unified Multimodal Models

Unified multimodal models (UMMs) aim to handle perception and generation in a single model. Yet existing UMMs still rely on a frozen, separately pretrained VAE for image generation, imposing a structural bottleneck. Naively removing it introduces a quality gap, as the model must learn both high-level structure and low-level details from raw pixels. In this paper, we propose Representation Forcing (RF), a technique that closes this gap by making representation prediction a native capability of the model. Concretely, RF forces the decoder to autoregressively predict visual representations as intermediate tokens before pixels; these tokens then stay in context to guide pixel diffusion within the same backbone. By turning representations from perception outputs into generation targets, RF eliminates the need for any external generative latent space. We find that RF benefits both understanding and generation. On image generation, our pixel-space model with RF matches state-of-the-art VAE-based unified models. On image understanding, pixel-space RF generally outperforms its VAE-based variant. Together, these results offer an effective step toward end-to-end, bottleneck-free UMMs.

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

From Correspondence to Actions: Human-Like Multi-Image Spatial Reasoning in Multi-modal Large Language Models

While multimodal large language models (MLLMs) have made substantial progress in single-image spatial reasoning, multi-image spatial reasoning, which requires integration of information from multiple viewpoints, remains challenging. Cognitive studies suggest that humans address such tasks through two mechanisms: cross-view correspondence, which identifies regions across different views that correspond to the same physical locations, and stepwise viewpoint transformation, which composes relative viewpoint changes sequentially. However, existing studies incorporate these mechanisms only partially and often implicitly, without explicit supervision for both. We propose Human-Aware Training for Cross-view correspondence and viewpoint cHange (HATCH), a training framework with two complementary objectives: (1) Patch-Level Spatial Alignment, which encourages patch representations to align across views for spatially corresponding regions, and (2) Action-then-Answer Reasoning, which requires the model to generate explicit viewpoint transition actions before predicting the final answer. Experiments on three benchmarks demonstrate that HATCH consistently outperforms baselines of comparable size by a clear margin and achieves competitive results against much larger models, while preserving single-image reasoning capabilities.

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

Trusting Right Predictions for Wrong Reasons: A LIME Based Analysis of Deep Learning Interpretability in Lung Cancer Diagnosis

Lung cancer is the leading cause of cancer-related mortality, with approximately 2.5 million new cases and 1.8 million deaths annually, making reliable diagnosis a clinical priority. Although deep learning models have achieved strong performance in lung cancer classification, evaluation has largely focused on predictive accuracy, leaving their decision-making processes insufficiently examined. This study compares three architecturally distinct models: a Convolutional Neural Network (CNN), a pretrained ResNet50, and a Vision Transformer (ViT), trained on the IQ-OTH/NCCD lung cancer CT dataset. Local Interpretable Model-Agnostic Explanations (LIME) were applied to investigate model reasoning. In addition to standard performance metrics, a dual-correlation framework was introduced to measure both prediction agreement and explanation agreement across model pairs. All three models achieved strong classification performance, with ResNet50 attaining 98.61% accuracy, CNN 97.91%, and ViT 93.75%, while all achieved ROC-AUC scores of 0.99. Prediction correlations exceeded 0.99 across all model pairs, indicating highly consistent outputs. However, LIME explanation correlations remained below 0.26, revealing substantial differences in the image regions used to reach those predictions. Analysis of misclassified samples further identified a consistent spatial pattern: incorrect predictions were associated with attention outside the lung parenchyma, whereas correct predictions focused primarily within lung regions. These findings demonstrate that prediction agreement is a poor proxy for reasoning consistency, and that interpretability evaluation must be treated as an independent validation criterion alongside predictive performance in clinical AI systems.

16.
bioRxiv (Bioinfo) 2026-06-17

Beyond phylogeny: Genome-wide DNA sequence patterns suggest DNA physical properties associated with thermal adaptation in extremophile microbes

Authors:

Temperature is a fundamental constraint on biological systems, yet how it is reflected in genome sequence organization remains unclear. Here, we show that genome-wide distributions of short DNA sequences contain a robust signal of thermal adaptation that is largely independent of phylogeny. Using Structural Topic Modelling (STM), a machine-learning approach for identifying groups of co-occurring sequence motifs, we analyze canonical 6-mer and 9-mer frequency profiles of bacterial and archaeal genome proxies (randomly sampled genomic regions) and identify motif families systematically associated with thermophiles and psychrophiles. In bacterial thermophiles, the identified motif families are dominated by highly specific, overrepresented and co-occurring C- and G-stacked hexamers, and a distinct family of CG-periodic hexamers recurring across multiple temperature comparisons. In contrast, bacterial psychrophile-associated motifs are dominated by low-complexity A-, T-, and AT-run hexamers. Thermophilic archaea generally exhibit a distinct CTAG-centred hexamer family, suggesting that different domains may adapt to similar environmental constraints through different sequence-level solutions. However, this domain-level contrast is not absolute: in a targeted analysis of two thermophilic bacterium–archaeon pairs, we find unusually similar frequencies of all the STM-identified thermophile-associated hexamer families, suggesting that shared high-temperature environments can, in specific cases, partially override phylogenetic divergence. Notably, the identified motif families constitute only a small and highly selective subset of the vast space of possible G+C-rich or A+T-rich sequences. This indicates that thermal adaptation is associated with specific sequence architectures rather than broad shifts in nucleotide composition. Accordingly, the observed signal cannot be explained by overall base composition alone, but instead arises from structured combinations and positional arrangements of nucleotides within short sequence contexts. Related motif families are recovered at both k=6 and k=9, indicating that the signal reflects systematic shifts in genome-wide sequence organization rather than isolated sequence motifs. These patterns are consistent with known sequence-dependent DNA physical properties documented in biochemical and biophysical studies, including differences in base-stacking interactions and conformational flexibility. Together, our results suggest that genome-wide sequence organization reflects sequence-dependent DNA physical properties associated with thermal adaptation, revealing a previously underappreciated physical layer of genomic information beyond phylogenetic history.

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

Calibrated Triage, Not Autonomy: Confidence Estimation for Medical Vision-Language Models

A vision-language model can answer a question about a medical image fluently and confidently while barely using the image, leaning instead on language priors. In medicine this is the failure that matters most, because the answer looks trustworthy and is not, and the only protection is a confidence score reliable enough to tell the system when to abstain. We ask a deployment question rather than an accuracy one: how much imaging work a model can safely handle alone, and which confidence signal makes that possible. We evaluate seven confidence estimators across five open-weight LVLMs and three medical visual-question-answering datasets spanning broad clinical imaging, radiology, and pathology, with every probe trained only on natural images and applied without adaptation. Recast as bounded selective prediction (automate a case only when confidence clears a threshold, defer the rest), the comparison is cautionary. The standard metrics are poor guides: discrimination barely separates the methods, and the weak calibration of a cheap self-report is cheaply removed by off-domain temperature scaling without changing deployable yield. What distinguishes a usable estimator is the high-confidence region a clinician acts on: the weakest baselines are confidently wrong on 41 to 45 percent of their errors against 1 to 4 percent for the best probe, and no estimator is reliably best across domains or models. Safe handoff is governed at two levels: base-model competence sets a ceiling, so a well-calibrated score recovers roughly a third of radiology cases at a 20 percent error tolerance but almost none of pathology; the confidence layer then decides how much of that ceiling is reachable. The usable role today is calibrated triage, not autonomy: automate the cases a calibrated score marks safe, route the rest to a clinician. We release all outputs, correctness judgments, and confidence scores, with code.

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

From Noise to Intent: Anchoring Generative VLA Policies with Residual Bridges

arXiv:2604.21391v2 Announce Type: replace-cross Abstract: Bridging high-level semantic understanding with low-level physical control remains a persistent challenge in embodied intelligence, stemming from the fundamental spatiotemporal scale mismatch between cognition and action. Existing generative VLA policies typically adopt a "Generation-from-Noise" paradigm, which disregards this disparity, leading to representation inefficiency and weak condition alignment during optimization. In this work, we propose ResVLA, an architecture that shifts the paradigm to "Refinement-from-Intent." Recognizing that robotic motion naturally decomposes into global intent and local dynamics, ResVLA utilizes spectral analysis to decouple control into a deterministic low-frequency anchor and a stochastic high-frequency residual. By anchoring the generative process on the predicted intent, our model focuses strictly on refining local dynamics via a residual diffusion bridge. Extensive simulation experiments show that ResVLA achieves competitive performance, strong robustness to language and robot embodiment perturbations, and faster convergence than standard generative baselines. ResVLA also demonstrates strong performance in real-world robot experiments.

20.
arXiv (CS.LG) 2026-06-16

Privacy from Symmetry: Orthogonally Equivariant Transformers for LLM Inference

arXiv:2606.16461v1 Announce Type: new Abstract: Running large language models locally is often impractical, pushing inference on sensitive text to third-party providers. Split inference partially mitigates this by keeping tokens on the client and sending only hidden representations, but these representations can still be recovered via nearest-neighbor search against the public embedding table. We propose an orthogonal obfuscation procedure in which the client multiplies embeddings by a secret orthogonal matrix before transmission. To enable correct inference under arbitrary rotations, we introduce ConjFormer, a transformer variant that is exactly $\mathrm{O}(d)$-equivariant via a lightweight normalization change (scalar RMSNorm) together with blockwise orthogonal conjugation of all linear weights. As a result, the server performs the full forward pass entirely in the rotated basis and never observes unrotated hidden states. Experiments on GPT-2 and Llama 3.2 1B models fine-tuned on PubMed show that orthogonal obfuscation eliminates direct cosine nearest-neighbor inversion and reduces token recovery from over 35% top-10 to at most 1.3%, while increasing perplexity by only 0.4% after fine-tuning. These results indicate that enforcing symmetry at the architectural level can provide a practical defense for privacy-preserving LLM inference without noise injection or heavy cryptographic machinery.

21.
arXiv (CS.CV) 2026-06-19

Language-Instructed Vision Embeddings for Controllable and Generalizable Perception

Vision foundation models are typically trained as static feature extractors, placing the burden of task adaptation onto large downstream models. We propose an alternative paradigm: instead of solely feeding visual features into language models, we use language itself to dynamically guide the vision encoder. Our method, Language-Instructed Vision Embeddings (LIVE), leverages language as high-level guidance to produce task-centric embeddings at inference time, removing the need for task-specific retraining. This enables the encoder to focus on contextually relevant aspects of the input, yielding more controllable and generalizable representations. Empirically, LIVE reduces visual hallucinations (+34 points on MMVP), surpasses vision-language models with orders of magnitude more parameters on visual question answering, and generalizes to unseen instructions and tasks – offering a direct path toward adaptive, instruction-driven visual intelligence.

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

Counterfactual Optimization of Baseball Pitch Sequences and Estimation of Its Impact on Season-Level Statistics

arXiv:2606.17345v1 Announce Type: cross Abstract: Although pitch sequencing is a central topic in baseball analytics, previous studies have primarily focused on optimizing the final pitch within a single plate appearance, leaving the role of preceding setup pitches and their impact on long-term season-level performance insufficiently examined. To address these issues, this study conducted counterfactual analyses using MLB Statcast data. A Transformer-based machine-learning model was trained to predict whether a target pitch would result in an in-play outcome or swing-out. Counterfactual pitch sequences were then generated by replacing either the final pitch or the preceding setup pitch with alternative pitch types and locations while keeping the surrounding contextual information fixed. Optimal counterfactual selections were defined as those that minimized the predicted in-play probability, and their expected effects on pitchers' seasonal statistics were estimated using regression models linking model outputs to season statistics. The results suggest that the optimization of both final and setup pitches may substantially influence season-level performance, including improvements of more than 1.0 in K/9. The analyses also provided several practical insights, including velocity-band-specific effective locations, the importance of pitch commands, and the expansion of pitch-selection options through middle-velocity pitches. These findings quantitatively support the strategic importance of pitch sequencing in baseball.

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

Unifying Post-hoc Explanations of Knowledge Graph Completions

arXiv:2507.22951v2 Announce Type: replace Abstract: Knowledge Graphs organize information as entity-relation-entity triples, enabling machine learning models to predict plausible missing triples in a task known as Knowledge Graph Completion (KGC). Post-hoc explainability for KGC addresses the problem of identifying which triples most influence the predictions of machine learning models. Currently, the field lacks formalization and consistent evaluations, hindering reproducibility and cross-study comparisons. This paper argues for a unified taxonomy for post-hoc explainability in KGC. First, we propose a characterization of post-hoc explanations via multi-objective optimization that unifies existing post-hoc explainability algorithms in KGC and the explanations they produce, balancing explanation effectiveness and conciseness. Next, we examine improved evaluation protocols based on popular metrics, such as Mean Reciprocal Rank and Hits@k, through illustrative experiments. Finally, we stress the importance of interpretability as the ability of explanations to address queries meaningful to end users. By unifying methods and discussing evaluation standards, this work puts forward a case for more reproducible and impactful research in KGC explainability.

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

Semantic Robustness Certification for Vision-Language Models

Vision-language models (VLMs) are now widely used in downstream tasks. However, real-world applications often expose VLMs to distribution shifts induced by semantic variation (e.g., shape, size, and style). Robustness certification determines if a model's prediction changes when transformations are applied to its input. While most certification frameworks study geometric or pixel-level transformations over inputs, this work proposes a novel framework that enables certifying VLM robustness under semantic-level transformations. Leveraging the open-vocabulary capability of VLMs, we use text prompts as semantic proxies to construct transformations parameterized by an extent that controls the degree of semantic variation. By characterizing the VLM decision boundary in closed form, our framework quantitatively certifies extent intervals for which the predicted class remains unchanged under the semantic transformation. Our framework is the first to certify VLM robustness under semantic-level variations without requiring additional data for each variation, making it practical to apply. Experiments on both synthetic and real-world data show that our framework enables certifying robustness under diverse semantic variations across scenarios.