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01.
arXiv (CS.CV) 2026-06-25

Wan-Streamer v0.1: End-to-end Real-time Interactive Foundation Models

We present Wan-Streamer, a native-streaming, end-to-end interactive foundation model designed from the ground up for real-time, low-latency, full-duplex audio-visual interaction. Wan-Streamer seamlessly models language, audio, and video as both input and output within a single Transformer, where the sequence is represented as interleaved visual, audio, and text input tokens together with visual, audio, and text output tokens, coordinated by block-causal attention for incremental streaming. Unlike cascaded interactive systems that rely on separate VAD, ASR, language, TTS, audio-driven animation, or video-generation modules, Wan-Streamer does not rely on external language, speech, avatar, or video-generation modules: perception, reasoning, generation, response timing, turn management, and cross-modal synchronization are learned jointly within one unified model, reducing pipeline latency and error accumulation. To support natural audio-visual responsiveness, we redesign the entire stack around streamability, including causal encoders, causal decoders, block-causal attention, and low-latency multimodal token scheduling, enabling streaming units as short as 160 ms at 25 fps. Wan-Streamer achieves approximately 200 ms model-side response latency and approximately 550 ms total interaction latency when combined with 350 ms bidirectional network latency, supporting sub-second duplex audio-visual communication. These results position Wan-Streamer as a unified, end-to-end, multimodal interactive foundation model for low-latency streaming interaction.

02.
arXiv (CS.CV) 2026-06-25

Dual Agreement Consistency Learning for Semi-Supervised Fetal Ultrasound Segmentation

Maternal-fetal US is the primary imaging modality for monitoring fetal development, yet accurate automated segmentation remains challenging due to the scarcity of pixel-level annotations. To address this issue, we propose DACL, a semi-supervised framework for robust fetal US image segmentation. DACL jointly trains a deployment-oriented lightweight convolutional network (1.47\thinsp\mathrm{M} parameters) and a Transformer-based network, leveraging labeled data for supervised learning and unlabeled data via CPS. To enhance prediction stability, we introduce a dual-agreement consistency loss that couples pixel-wise probabilistic divergence with entropy-guided confidence alignment. Unlike conventional CPS methods that enforce agreement only at the prediction level, DACL explicitly regularizes both distributional alignment and uncertainty, thereby suppressing unreliable pseudo-labels and enabling stable cross-architecture pseudo-label learning under extreme annotation scarcity. Furthermore, an interpolation-based consistency strategy using mixup is applied to unlabeled samples to enhance robustness. Under 5% labeled data, DACL improves Dice by up to 2.77% and reduces HD95 by up to 14.69 mm compared with the strongest recent semi-supervised methods, demonstrating significant improvements in boundary accuracy on both fetal head and abdomen datasets. These results demonstrate the effectiveness of agreement-based consistency learning for annotation-efficient fetal US segmentation. Our code is on GitHub.

03.
arXiv (CS.LG) 2026-06-12

Evaluation of AutoML Frameworks for IDS under Imbalanced Data Conditions of the NSL-KDD Dataset

arXiv:2606.12611v1 Announce Type: new Abstract: This work investigates the impact of severe class imbalance on the performance of automated machine learning (AutoML) frameworks for multiclass network intrusion detection using the NSL-KDD dataset. Unlike previous studies that simplify the problem through binary classification or minority-class removal, we preserve the original five-class distribution, including highly underrepresented attacks such as R2L and U2R, enabling a realistic evaluation of imbalance-sensitive learning behavior. Nine open-source AutoML frameworks were analyzed under a unified and reproducible experimental protocol, considering differences in architectural design, ensemble strategies, validation procedures, hyperparameter optimization, and imbalance-handling mechanisms. The results demonstrate that frameworks incorporating ensemble learning and imbalance-aware optimization achieve better minority-class discrimination. PyCaret obtained the best overall performance, reaching 66\% macro-F1, followed by AutoGluon with 55\%, whereas frameworks lacking native balancing support exhibited significant degradation in minority-class detection capability. The analysis further shows that accuracy-oriented optimization alone is insufficient for highly imbalanced IDS scenarios, since high-weighted metrics may coexist with poor generalization on rare attack categories. As a contribution, this work establishes a standardized benchmark for AutoML-based intrusion detection under severe multiclass imbalance, highlighting current architectural limitations and the need for native integration of imbalance-aware optimization, resampling, and stratified evaluation strategies into automated learning pipelines. The source code is publicly available.

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

ToaSt: Token Channel Selection and Structured Pruning for Efficient ViT

Vision Transformers (ViTs) have achieved remarkable success across various vision tasks, yet their deployment is often hindered by prohibitive computational costs. While structured weight pruning and token compression have emerged as promising solutions, they suffer from prolonged retraining and inter-layer dependencies that complicate optimization, respectively. We propose ToaSt, a decoupled framework applying specialized strategies to distinct ViT components. We apply coupled head-wise structured pruning to Multi-Head Self-Attention modules, leveraging attention operation characteristics to enhance robustness. For Feed-Forward Networks (over 60% of FLOPs), we introduce Token Channel Selection (TCS), a training-free method that filters redundant noise channels at inference time. Extensive evaluations across nine diverse models, including DeiT, ViT-MAE, and Swin Transformer, demonstrate that ToaSt achieves superior trade-offs between accuracy and efficiency, consistently outperforming existing baselines. On ViT-MAE-Huge, ToaSt achieves 88.52% accuracy (+1.64%p) with 39.4% FLOPs reduction. ToaSt also transfers effectively to diverse downstream tasks (COCO detection, ADE20K segmentation, CIFAR-100 classification), achieving 52.2 versus 51.9 mAP on COCO. Code: github.com/SHANNonLab-HUFS/ToaSt

05.
Nature (Science) 2026-06-22

C-glycoside synthesis via radical cross-coupling of glycohydrazides

作者:

Carbohydrates are among the most abundant and structurally diverse biomolecules in nature, playing central roles in energy storage, molecular recognition, and cell signaling. Within this domain, C-glycosides1-3, in which the oxygen atom of the glycosidic bond in O-glycosides is replaced by carbon, have emerged as valuable motifs in medicinal chemistry due to their resistance to enzymatic hydrolysis2,4. Of particular importance are C-aryl glycosides, exemplified by the SGLT2 inhibitors dapagliflozin, canagliflozin, and empagliflozin, which are frontline therapies for type 2 diabetes5-7. However, scalable syntheses of C-aryl glycosides have traditionally relied on protected sugar derivatives, lengthy sequences, or conventional cross-couplings that often suffer from poor selectivity, limited scope, and extensive protecting-group manipulation6. Herein, we report a practical approach to C-aryl glycosides using glycosyl sulfonyl hydrazides as redox-neutral radical precursors for cross-coupling. Prepared directly from unprotected native sugars, these reagents generate glycosyl radicals under mild conditions and enable efficient access to diverse C-aryl glycosides, including all approved SGLT2 inhibitors, natural products such as salmochelins and neopetrosins, and medicinally relevant probes. Beyond anomeric functionalization, this platform enables C–C bond formation at multiple positions on carbohydrate scaffolds and supports stereoretentive radical coupling that can override inherent stereochemical biases, expanding practical access to carbohydrate-derived therapeutics and chemical tools.

06.
arXiv (CS.LG) 2026-06-25

Leaking Circuit Secrets: Gradient Leakage Attacks on Graph Neural Networks

arXiv:2606.25589v1 Announce Type: new Abstract: As graph neural networks (GNNs) become standard tools for critical tasks in circuit design and analysis, their security and privacy risks require careful attention. Here, we present the first comprehensive evaluation of gradient leakage attacks (GLAs) on GNNs in circuit-design and hardware-security tasks, a practical threat that has been largely overlooked. We assess state-of-the-art (SOTA) GNNs, including GraphSAGE, GCN, GIN, and GAT, trained on standard netlist benchmarks (ISCAS'85, EPFL, and TrustHub), for their fundamental vulnerability to GLAs. We find that GLAs can expose sensitive information, such as gate types and distinctive properties of hardware Trojans, which may assist adversaries in analyzing logic locking schemes or evading Trojan detection mechanisms. Our analysis shows that these risks are influenced by architectural features, with attention mechanisms (GAT) exacerbating leakage, while injective aggregation (GIN) provides comparatively stronger resilience. We further evaluate several SOTA defense techniques, including differential privacy, gradient clipping, secure aggregation, model compression with quantization, and adversarial training. We find that these techniques improve resilience only in specific settings and can also compromise model performance. Overall, our work provides key insights toward privacy-preserving GNNs and highlights the need for more robust and efficient defenses. We release our full methodology and artifacts.

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

From Paper to Program: Knowledge Externalization for AI-Assisted Quantum Many-Body Code Generation

作者:

arXiv:2604.04089v3 Announce Type: replace-cross Abstract: Large language models can write scientific code, but direct paper-to-program translation remains fragile when correctness depends on tacit conventions in the literature. We identify this bottleneck as knowledge externalization: converting implicit computational assumptions – index conventions, gauge choices, fermionic signs, contraction order, and memory constraints – into an explicit technical specification before implementation. We evaluate a multi-stage, human-in-the-loop workflow that inserts such a specification, with validation and stop gates, between theory extraction and code generation. The workflow is tested on two algorithmically distinct quantum many-body tasks: variational sweep-based Density-Matrix Renormalization Group (DMRG) from a pedagogical review and constructive Pfaffian conversion of Hartree–Fock–Bogoliubov states to matrix product states from the five-page Letter by Jin et al., Phys. Rev. B 105, L081101 (2022), for which no public code is available. For DMRG, all 16 specification-guided model pairings in a $4\times4$ grid satisfy physics-validation criteria, compared with 6/13 direct attempts. A prose-specification ablation indicates that externalized content, not \LaTeX{} formatting, is the essential ingredient. For Pfaffian-MPS, the workflow succeeds in 11/26 archived attempts, whereas direct prompting yields zero audited passes. Cross-specification transfer is asymmetric: non-GPT specifications implemented by GPT~5.5 pass 4/4, while GPT~5.5 specifications implemented by weaker models fail 4/4, indicating a residual implementation-model bottleneck. The resulting Paper-to-Program Many-Body skill provides an auditable protocol for AI-assisted implementation of many-body algorithms and for diagnosing where externalization succeeds or fails.

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

Theoretical Grounding of Out-Of-Distribution Detection With Reinforcement Learning Optimizer

Out-of-distribution (OOD) detection in dynamic open-world environments requires a model to continually adapt to evolving data distributions while generalizing to covariate-shifted inputs and rejecting semantic-shifted OOD examples. Most existing OOD detection methods optimize only the current-step objective and do not explicitly account for how post-deployment environment changes affect future OOD behavior. In this paper, we establish a theoretical grounding for dynamic OOD detection using a reinforcement learning (RL)-guided optimizer that explicitly favors updates that reduce the semantic OOD false positive rate over time. We develop a novel augmented optimizer that uses an RL-guided correction term on top of standard gradient descent (GD) and show its improvement over both future-domain generalization and semantic-OOD rejection. We analyze temporal error decomposition in terms of model-change and environment-change generalization errors and develop a new theoretical framework for comparing the generalization errors under both GD and RL-guided optimizers.

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

DeepSWIP: Quotient-WMC Counterfactuals for Neural Probabilistic Logic Programs

arXiv:2606.20526v1 Announce Type: new Abstract: Neurosymbolic systems such as DeepProbLog combine neural perception with probabilistic logic, but standard inference is associational. Counterfactual reasoning additionally requires a causal semantics for interventions and evidence. We introduce DeepSWIP, a single-world counterfactual semantics for DeepProbLog programs. Using neural materialization, we reduce fixed-context neural predicates to ordinary ProbLog choices, apply Single World Intervention Programs (SWIPs), and compute counterfactuals by weighted model counting (WMC) over a single transformed program. Under finite grounding and unique-supported-model assumptions, DeepSWIP is exact relative to the learned materialized FCM. The standard quotient-WMC form of ProbLog conditionals identifies active neural probabilities and explains intervention cleaning, calibration sensitivity, and rare-evidence instability. Experiments on MPI3D confirm the transformation against a DeepTwin construction against 12,000 queries, as predicted and a 2.14$\times$ inference speedup from avoiding the Twin's endogenous duplication. A SUMO HOV experiment shows that neural calibration degradation biases plug-in estimates, while a correctly scoped randomized-policy AIPW estimator removes most first-order bias for population mean and ATE estimands. Code is at https://github.com/saibib/deep_SWIP.

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

Beyond Trajectory Imitation: Strategy-Guided Policy Optimization for LLM Reasoning

arXiv:2606.24064v1 Announce Type: new Abstract: Distilling reasoning capabilities from strong to weak language models typically involves imitating specific solution trajectories, effectively transferring what to answer rather than how to reason. This trajectory-level imitation encourages memorization of instance-specific steps rather than acquisition of transferable problem-solving skills, limiting generalization to novel problems. We propose Strategy-Guided Policy Optimization (SGPO), which replaces instance-level trajectory imitation with reusable strategy distillation. SGPO extracts structured strategy descriptions from strong-model responses and, for each problem, constructs both autonomous and strategy-guided trajectories to enable direct comparison of the model's behavior with and without strategic guidance. The framework then addresses two key questions. For how to distill, a token-level forward-KL objective selectively transfers the distributional shift induced by strategy conditioning into the unguided policy, with proximal constraints ensuring stability. For when to distill, adaptive instance-level weighting strengthens guidance when autonomous exploration falls short and reduces it as the model's own competence grows. Experiments on four mathematical benchmarks across two model families show that SGPO consistently outperforms SFT, on-policy RL, and hybrid-policy baselines, improving the average score by 2.2 points over the strongest baseline on Qwen2.5-7B-Instruct. Analysis reveals that the forward-KL objective provides an inherently selective distillation signal that outperforms direct trajectory imitation, and that strategy distillation exhibits complementary scaling with base model capability.

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

Spatially Coupled Phase-to-Depth Calibration for Fringe Projection Profilometry

In fringe projection profilometry (FPP), depth is commonly recovered by fitting a phase-to-depth relation independently at each camera pixel. Although such pixel-wise calibration achieves high local accuracy, neighboring pixels can acquire markedly different calibration functions even when they observe the same smooth surface, producing spatially inconsistent geometry and structured surface artifacts. We propose a spatially coupled phase-depth transformation in which all pixels share a single low-dimensional mapping-global phase scalars combined with affine spatial terms on the undistorted reference-camera grid-rather than independent per-pixel fits, optionally augmented by a bounded, spatially smooth correction field. We further introduce a native-grid pairing scheme that constructs phase-depth calibration pairs directly on the reference-camera grid: when depth supervision comes from a rectified active-stereo pipeline, planes are fitted in stereo 3D and sampled back onto the camera grid along native rays, so the phase maps are never rectified. On a dental target with high-resolution scanner ground truth, the proposed model attains point-to-surface RMSE comparable to an active-stereo reference (about 12{\mu}m aggregate) while substantially improving spatial coherence over pixel-wise polynomial and rational calibration, and reduces the runtime mapping to a few element-wise operations per pixel with negligible parameter storage.

12.
arXiv (math.PR) 2026-06-16

Testing for a Hidden Geometry in Random Graphs

arXiv:2606.16715v1 Announce Type: cross Abstract: We study the problem of detecting a faint geometric signal hidden in an otherwise random graph. Formally, we consider a hypothesis testing problem in which, under the null, the observed graph is an Erdős–Rényi random graph $\mathcal{G}(n,q)$, while under the alternative a random geometric graph $\mathcal{G}(k,q,d)$ is planted on $k\le n$ vertices. The planted subgraph is generated from independent random points on the unit sphere $\mathbb{S}^{d-1}$, with edges determined by latent geometric proximity and calibrated to have edge density $q$. Our goal is to characterize the statistical and computational limits of detecting this hidden geometry. We derive sharp information-theoretic lower bounds that identify regimes where detection is impossible and provide algorithms that achieve these limits whenever detection is feasible. We further investigate the computational complexity of the problem and determine when efficient polynomial-time tests exist. The model exhibits an easy–hard–impossible phase transition: some regimes allow efficient detection, others permit detection only with computationally intractable procedures, and still others render detection impossible even with unlimited computational power. As evidence for the computational barrier, we prove that all low-degree polynomial algorithms fail throughout the conjecturally hard regime, demonstrating a sharp gap between statistical and computational feasibility.

14.
arXiv (CS.LG) 2026-06-17

Learning in Matching Games with Bandit Feedback

arXiv:2506.03802v2 Announce Type: replace Abstract: We introduce a learning problem in a generalized two-sided matching market, where agents select actions to interact with their match. Specifically, we consider a setting in which matched agents engage in zero-sum games with initially unknown payoff matrices, and we investigate whether a centralized procedure can learn an equilibrium from bandit feedback. We adopt the solution concept of a matching equilibrium, where a matching \( \mathfrak{m} \) and a set of agent strategies \( X \) form an equilibrium if no agent has an incentive to deviate from \( (\mathfrak{m}, X) \). To quantify deviations of a candidate solution \( (\mathfrak{m}, X) \) from the equilibrium \( (\mathfrak{m}^\star, X^\star) \), we introduce the notion of matching instability, which serves as a regret measure for the learning problem. We propose a UCB-based algorithm in which agents form preferences and select actions according to optimistic estimates of the payoffs. Our analysis establishes a sublinear, instance-independent regret upper bound, further supported by empirical evidence.

15.
arXiv (math.PR) 2026-06-15

Longest weakly increasing subsequences of discrete random walks on the integers with heavy tailed distribution of increments

arXiv:2603.29047v2 Announce Type: replace-cross Abstract: We investigate the behavior of the length of the longest weakly increasing subsequences (weak LIS) of $n$-step random walks with nonzero integer increments $k = \pm 1, \pm 2, \dots$ given by a symmetric heavy tailed mass distribution proportional to $|k|^{-1-\alpha}$ for several values of the real parameter $\alpha > 0$ together with that of the simple random walk ($k=\pm 1$), to which the $n$-step heavy tailed walks reduce when $\alpha$ grows large enough that step jumps beyond $\pm 1$ become essentially absent on the scale of $n$. By means of exploratory fits, weighted nonlinear least squares, and nested-model comparisons, we found that the sample average length $\langle{L_{n}}\rangle$ scales like $\langle{L_{n}}\rangle \sim \sqrt{n}\log{n}$ when the distribution of increments has finite variance ($\alpha > 2$) and $\langle{L_{n}}\rangle \sim n^{\theta}$ with a varying exponent $\theta > 0.5$ when the variance is infinite ($\alpha \leq 2$). Distributional diagnostics indicate that the bulk of the $L_{n}$ distribution is very well-approximated by a lognormal model, though systematic deviations are observed in the tails. Our results corroborate and expand upon previous results for the LIS of other types of heavy-tailed random walks and raise a conjecture as to whether the distribution of $L_{n}$ is given, or can be effectively described, by a lognormal distribution.

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

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

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

17.
arXiv (CS.LG) 2026-06-19

Effective Dimension Governs Generalization in Quantum Kernel Vision Models

arXiv:2606.20183v1 Announce Type: new Abstract: Recent quantum vision models-quantum vision transformers and quantum convolutional networks-report two striking but unexplained empirical phenomena: (i) ansatze with more, or more uniformly distributed, entanglement generalize better, and (ii) injecting quantum noise can improve test accuracy rather than degrade it. These observations are currently treated as curiosities, discovered by grid search and explained, if at all, by hand. We show that both are manifestations of a single, measurable quantity: the effective dimension $d_eff$ of the (noise-shaped) quantum feature kernel. Working primarily with quantum-kernel vision models-a quantum feature map read out by a kernel classifier-we give a spectral account in which entanglement structure and quantum noise are two knobs that move $d_eff$; in an overfitting regime, contracting $d_eff$ acts as ridge-like regularization. We analyze the mechanism: an exact decomposition of the depolarized kernel $K_p=(1-p)^2K+\tfrac{p(2-p)}{D}\mathbf{1}\mathbf{1}^\top$ with $d_eff(K_p)\to1$, a contraction result (and its boundary) for amplitude damping, a kernel-machine capacity bound, and a capacity/alignment risk decomposition; the monotone contraction operative in our entangled experiments is verified empirically, not proven in general. Along the one-parameter depolarizing family the collapse is instead exact by construction; we use it only to confirm the kernel decomposition to machine precision and at up to $12$ qubits, not as evidence for $d_eff$. Amplitude damping contracts $d_eff$ and lifts test accuracy by up to $+13\%$ along an inverted-U sweet spot; the effect's sign flips between the over- and under-fitting regimes; noise injection matches an explicit spectral-filtering frontier. Our results organize two reported anecdotes into a single measurable principle for designing quantum-vision models.

18.
arXiv (CS.CL) 2026-06-12

RogueAI: A Reverse Turing Test for Detecting Licensed AI Deception in Dialogue

The original Turing Test asks a human judge to distinguish a machine from a person through dialogue. Three quarters of a century later, conversational systems pass this test in casual settings; the interesting epistemological question has shifted. We argue that the relevant modern variant asks not whether a dialogue partner is artificial, but whether it can be trusted. We present RogueAI, an interactive webapp that operationalizes this revisited test as a one-on-two interrogation game: a human player questions two indistinguishable Large Language Model agents, knowing that exactly one of them has been licensed to deceive within a shared fictional scenario. The player's task is to identify the deceptive agent and "shut it off" before a turn budget is exhausted. We further introduce AutoRogueAI, a procedural extension in which players co-design a custom scenario with a narrator agent that secretly chooses its own deception strategy. We describe the framing, sketch the abstract architecture and gameplay loop, and situate the artifact within recent work on LLM deception, social-deduction benchmarks, and scalable oversight via debate. A three-day pilot deployment (467 initiated sessions, 415 completed, 1876 interaction turns in Italian) provides early feasibility evidence and surfaces a concrete tension: the deceptive agent carries a reliable, locally-present linguistic signature - differential helpfulness, brevity, hedging - that a simple heuristic exploits at 75.6% accuracy, yet human players achieved only 56.6%, consistent with ignoring the most diagnostic signal entirely. We discuss what this gap implies for the artifact's use as a data-collection vehicle, a teaching tool, and an evaluation harness for honesty-trained models.

19.
arXiv (quant-ph) 2026-06-16

How Many Shots Are Enough for a Quantum Circuit?

arXiv:2606.16965v1 Announce Type: new Abstract: Quantum algorithms require repeated circuit executions, known as shots, to estimate output distributions accurately. Determining the minimal number of shots needed to meet a target accuracy is crucial to reduce costs and resource usage, especially on today's noisy and expensive quantum hardware. In this paper, we address the shot optimisation problem in a black-box setting, where no assumptions are made about the structure of the quantum circuit or the noise model of the backend. We introduce IncrementalExecution, a novel online framework that dynamically determines when to stop executing shots based on the principle of point of diminishing returns: the point at which additional shots no longer significantly alter the empirical distribution of a fixed circuit. The framework supports customisable policies for shot management, enabling flexible trade-offs between execution cost and result fidelity within static execution scenarios. We assess our proposal through an extensive experimental evaluation spanning 33,750 framework configurations across 180 unique static quantum circuit-backend combinations, for a total of 7.3M independent experiments. Unlike prior work that relies on problem-specific knowledge or algorithm-dependent assumptions (e.g., variational or adaptive workflows), our approach is applicable to a large set of static circuits and immediately deployable on current quantum cloud platforms.

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

Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design

arXiv:2601.09693v3 Announce Type: replace Abstract: Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe), a single contrastive geometric model that unifies structure- and ligand-based training. ConGLUDe couples a geometric protein encoder that produces whole-protein representations and implicit embeddings of predicted binding sites with a fast ligand encoder, removing the need for predefined pockets. By aligning ligands with both global protein representations and multiple candidate binding sites through contrastive learning, ConGLUDe supports ligand-conditioned pocket prediction in addition to virtual screening and target fishing, while being trained jointly on protein-ligand complexes and large-scale bioactivity data. Across diverse benchmarks, ConGLUDe achieves competitive zero-shot virtual screening performance, substantially outperforms existing methods on a challenging target fishing task, and demonstrates state-of-the-art ligand-conditioned pocket selection. These results highlight the advantages of unified structure-ligand training and position ConGLUDe as a step toward general-purpose foundation models for drug discovery.

21.
arXiv (CS.AI) 2026-06-12

Definitional alignment before capability alignment: a Design-Science framework for adjudicating claims about AGI

arXiv:2606.12713v1 Announce Type: new Abstract: Claims that artificial general intelligence has already arrived and claims that it remains decades away are often defended from overlapping evidence. "AGI" lacks a single shared and stable referent and competing operationalizations can return different verdicts on the same system. This article treats that under-specification as a design and governance problem. Following Design Science Research Methodology, it develops DAF-AGI, a second-order conceptual artifact with two coupled components: five ordinal criteria for assessing the adjudicative fitness of candidate definitions and a structured governance audit of authorship, interest, certification, external verification and revision authority. The artifact is demonstrated on five prominent measurement families and one deflationary boundary position in a documented corpus and then stress-tested against a stylized strong arrival claim: that current generative systems constitute AGI because they outperform a well-educated adult on many cognitive tasks. On evidence from the cited 2024-2025 sources, the claim was certifiable only under a performance-based operationalization; capability-ontology, psychometric and skill-acquisition approaches did not certify it, the economic family remains indeterminate and the deflationary position refuses binary adjudication. The contribution is a novel integration and operationalization, not an empirical validation: independent application, inter-rater testing and author-external cases remain necessary. The paper further proposes definitional sovereignty as an enabling component of algorithmic sovereignty: the institutional capacity to contest, certify and revise imported technological categories under public accountability.

22.
bioRxiv (Bioinfo) 2026-06-23

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

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.

23.
arXiv (CS.AI) 2026-06-24

SemChunk-C: Semantic Segmentation for C Code

arXiv:2606.23697v1 Announce Type: cross Abstract: Semantic segmentation of code written in a C-family language remains a challenging problem, due to the language's complex syntax, macro expansion, and irregular structural patterns. Existing chunking methods, such as fixed-sized windows, heuristic splitting, and syntax-based tools, often fail to capture meaningful functional units, limiting the efficacy of retrieval and other downstream LLM driven tasks. In this paper, we address the problem of chunking in C-related languages. First, we define a set of code chunk categories. Second, we train an LLM-based classifier to a) identify chunk boundaries, and b) assign each chunk a descriptive functional attribute (a category), which can be useful for downstream tasks. By leveraging the LLM's ability to capture semantic context within the code, we assume flexible chunk boundaries, allowing to adapt to the specific structure and context of each instance. Third, we introduce SemChunk-C, a family of lightweight language models for semantic chunking of C-related files (.c, .cpp, .h, .cs, etc.). These models are based on the first four Ettin encoders [1] with 17M, 32M, 68M, and 150M parameters. Despite their relatively small size, they are capable of identifying cohesive code units, such as data structures, interface blocks, and other components. Furthermore, we demonstrate the robustness of our approach on real-world code, including challenging constructs such as nested definitions and macros. We test our approach on various datasets, and show that it achieves high boundary accuracy and semantic coherence, matching or outperforming chunkers that are based on much larger code-oriented LLMs. We also validate the improved performance of the downstream tasks on a few curated benchmarks.

24.
arXiv (CS.LG) 2026-06-19

Reversible Residual Normalization Alleviates Spatio-Temporal Distribution Shift

arXiv:2604.15838v2 Announce Type: replace Abstract: Distribution shift severely degrades the performance of deep forecasting models. While this issue is well-studied for individual time series, it remains a significant challenge in the spatio-temporal domain. Effective solutions like instance normalization and its variants can mitigate temporal shifts by standardizing statistics. However, distribution shift on a graph is far more complex, involving not only the drift of individual node series but also heterogeneity across the spatial network where different nodes exhibit distinct statistical properties. To tackle this problem, we propose Reversible Residual Normalization (RRN), a novel framework that performs spatially-aware invertible transformations to address distribution shift in both spatial and temporal dimensions. Our approach integrates graph convolutional operations within invertible residual blocks, enabling adaptive normalization that respects the underlying graph structure while maintaining reversibility. By combining Center Normalization with spectral-constrained graph neural networks, our method captures and normalizes complex Spatio-Temporal relationships in a data-driven manner. The bidirectional nature of our framework allows models to learn in a normalized latent space and recover original distributional properties through inverse transformation, offering a robust and model-agnostic solution for forecasting on dynamic spatio-temporal systems.

25.
arXiv (CS.AI) 2026-06-17

How Inference Compute Shapes Frontier LLM Evaluation

arXiv:2606.17930v1 Announce Type: new Abstract: AI evaluations are shifting toward harder tasks that benefit from longer trajectories involving tool use and iterative problem solving. As a result, performance is increasingly sensitive to the amount and allocation of compute available at test time ("inference compute"). Yet many evaluations still report performance at a single restrictive budget, meaning that low scores may reflect the evaluation setup rather than the model's underlying capability. To test this, we evaluate up to 12 frontier language models on seven challenging benchmarks spanning software engineering, mathematics, medicine, and cybersecurity. We use a controlled setup combining three simple inference-scaling interventions: larger token budgets, context compaction, and repeated submission attempts, guided either by the model itself or by minimal correctness feedback. We find three main results. First, larger token budgets substantially improve performance on benchmarks across multiple domains, including cybersecurity, FrontierMath, Humanity's Last Exam, and TerminalBench. Second, fixed-budget evaluations can increasingly understate frontier capability as models advance. Newer models reach higher performance at large budgets, where they unlock harder tasks and solve them more reliably. Third, benchmarks differ in which inference-scaling methods help most: repeated submission broadly improves performance, but the value of larger token budgets, external feedback, and parallel attempts varies by benchmark. Overall, our results show that benchmark scores are protocol-dependent. We therefore argue that evaluations should report capability as a function of inference-time compute, specify protocol choices explicitly, and compare model generations over a large shared compute range at matched budgets, especially in safety- or policy-relevant settings.