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01.
arXiv (CS.CV) 2026-06-12

SeamEdit: A Black-Box VLM-Agnostic Pipeline for Large-Image Semantic Editing

Semantic region editing for large images must satisfy two requirements at the same time: high generative quality and natural integration with surrounding content. Some related methods rely on white-box models and leave the strong generation capability of closed-source models underexplored. Directly applying closed-source models to tiled editing, however, introduces several failure modes: semantic deformation, canvas-level alignment drift, and visible seam artifacts. This paper presents SeamEdit, a training-free and model-agnostic pipeline that treats any VLM with inpainting capability as a black-box oracle. SeamEdit mitigates these issues through a five-stage post-hoc pipeline: overlay-based tile decomposition, black-box VLM inpainting, geometric and color-consistency correction, seam-risk-based multi-candidate ranking, and dynamic-programming curved seam fusion. The pipeline reduces seam visibility and supports semantic modification of arbitrary tile regions.

02.
arXiv (CS.CL) 2026-06-11

From Explicit Elements to Implicit Intent: A Predefined Library for Auditable Behavioral Inference

Authors:

We present SemantiClean, a modular framework for extracting structured semantic signals from e-commerce session data and driving pluggable inference targets including purchase intent, customer segmentation, and product affinity through a shared element library. Unlike conventional end-to-end predictors that optimise solely for accuracy, SemantiClean prioritises auditability, structural governance, and sigma=0 reproducibility, explicitly trading marginal predictive gains for element-level transparency and defensible decision trails. Built upon the Online Shoppers Purchasing Intention (OSPI) dataset, the framework organises twenty-four behavioural elements into a four-layer architecture (Functional, Interaction, Systemic, Contextual) and enforces signal quality through three anti-inflation mechanisms: RedundancyGroup contribution caps, TieredPenaltyCalculator bias penalties, and AdaptiveConstraintMode cold-start protection.This report introduces the LLM-Integrated Semantic Inference Engine, a fully implemented two-phase LLM-driven inference architecture that leverages complete element metadata at inference time. All quantitative results reported herein are produced by this engine. Deterministic engine outputs remain fully reproducible (sigma=0); LLM-dependent results (E8, E10) are subject to controlled output variability under fixed provider/model/temperature settings. The gender inference target remains non-functional in the current implementation and is excluded from all quantitative results.

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

Let's Ask Gauss: Improved One-Run Privacy Auditing

arXiv:2606.12733v1 Announce Type: new Abstract: Privacy auditing provides an important safeguard by estimating the actual information leaked by a model, thus ensuring that theoretical privacy guarantees hold in practice. We study empirical privacy auditing for differentially private (DP) machine learning, focusing on efficient one-run methods for mechanisms such as DP-SGD. Prior one-run approaches threshold training examples or "canaries" into binary membership guesses, which discards useful information. We show that, in the white-box DP-SGD setting, canary-aligned signals naturally form a sequence of random variables whose normalized sum is asymptotically Gaussian. Leveraging this distributional perspective, we develop a DP-auditing framework that leads to tighter privacy lower bounds from a single training run.

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

Closing the Approximation Gap in Simulation-free Latent SDEs

arXiv:2606.16138v1 Announce Type: cross Abstract: Recovering dynamical systems from noisy observations is a recurring challenge across scientific domains, including neuroscience and physics. Latent stochastic differential equations (SDEs) address this by modeling the system as an unobserved state that evolves according to a learnable SDE and generates the observations. Variational inference (VI) provides a tractable objective for fitting latent SDEs. Traditional VI algorithms evaluate this objective by numerical simulation over a time discretization, trading fidelity for computational cost. A recent class of algorithms, simulation-free VI, sidesteps this tradeoff by parameterizing the posterior through its instantaneous marginals rather than its drift. In this work, we show that the efficiency of existing simulation-free VI algorithms comes at a price: their parameterizations restrict the approximate posterior to a subset of the SDEs available to simulation-based methods, degrading posterior inference and parameter learning. We propose Helmholtz-SDE, a simulation-free VI algorithm that closes this gap by optimizing over path laws compatible with a prescribed collection of marginals. Helmholtz-SDE recovers dynamics more faithfully than prior simulation-free methods, with the largest gains under high posterior uncertainty. It further matches the performance of simulation-based VI at a fraction of the runtime.

05.
arXiv (CS.CV) 2026-06-24

Sat2City v2: Native 3D City Asset Generation from a Single Satellite Image

Generating explicit 3D city assets from a single satellite image is important for digital twins, urban simulation, and geospatial intelligence. Unlike satellite-to-street-view synthesis, the task requires a reusable textured mesh with plausible geometry and controllable appearance rather than a 3D proxy optimized only for rendering a small set of images or videos. The ICCV Sat2City framework made a first step by conditioning cascaded sparse-voxel latent diffusion on satellite-derived height maps, but its appearance was random, its training data were synthetic, and its task-specific VAE did not scale well to noisy real-world reconstructions. We present Sat2City v2, a journal extension that adapts a pretrained native structured-latent 3D foundation model to weakly aligned satellite images and textured meshes. We build a real-world dataset with 16,241 satellite-mesh pairs across 24 regions in 9 cities. Instead of learning a 3D representation from noisy city meshes, Sat2City v2 encodes each mesh into a pretrained native 3D latent space, fine-tunes a satellite-conditioned geometry flow, and uses the decoded shape to anchor satellite-conditioned texturing. This retains Sat2City's geometry-to-appearance cascade while enabling appearance-controllable generation from the satellite input. Experiments on metric-scale DSM reconstruction and generative city-asset benchmarks for geometry and appearance show that Sat2City v2 achieves the best overall performance among evaluated baselines. Overall, Sat2City v2 advances satellite-to-city generation from rendering-oriented 3D proxies to explicit textured mesh assets, supported by, to the best of our knowledge, the first documented satellite-mesh paired dataset collected from matched geographic crops for this asset-level task. Project page: https://ai4city-hkust.github.io/Sat2City-v2/

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

Structural Energy Guidance for View-Consistent Text-to-3D Generation

Text-to-3D generation based on diffusion models often suffers from the Janus problem, leading to inconsistent geometry across viewpoints. This work identifies viewpoint bias in 2D diffusion priors as the main cause and proposes Structural Energy-Guided Sampling (SEGS), a training-free and plug-and-play framework to improve multi-view consistency. SEGS constructs a structural energy in the PCA subspace of U-Net features and injects its gradient into the denoising process. It can be easily integrated into SDS/VSD pipelines without retraining. Experiments show that SEGS reduces the Janus Rate by about 10% on average and improves View-CS scores across multiple baselines, including DreamFusion, Magic3D, and LucidDreamer. This method effectively alleviates viewpoint artifacts while preserving appearance fidelity, providing a flexible solution for high-quality text-to-3D content generation.

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

Similarity of Neural Network Representations in Superposition

arXiv:2604.00208v2 Announce Type: replace Abstract: Comparing internal representations is a central goal in neuroscience and machine learning, but standard linear alignment metrics (Representational Similarity Analysis, Centered Kernel Alignment, and linear regression) are frequently applied to neural activity coordinates rather than on the underlying features. We show this matters when neural systems operate in superposition, encoding more features than they have neurons via linear compression. Closed-form derivations prove that these metrics depend on the Gram matrices of each system's projection, not on the latent features themselves: alignment thus combines what a system represents with how it is encoded. For those interested in what features two systems share, this is a problem: Two networks can have identical feature content yet appear more dissimilar than networks exhibiting partial feature overlap. This apparent misalignment need not reflect lost information as compressed sensing guarantees sparse features remain recoverable from the compressed activity. We confirm this by training supervised TopK sparse autoencoders that realize solvable compressed sensing by construction, finding alignment on recovered latents restored even when raw-activation alignment remains deflated. We extend the result to unsupervised SAEs trained without ground-truth latents, and to pretrained vision and language model SAEs, where SAE-latent alignment exceeds raw-activation alignment, consistent with superposition in real systems.

08.
Nature (Science) 2026-06-09

How ice forms is a mystery — now scientists are cracking the case

Authors:

Theories about how ice crystals grow in cooling liquids are wildly inaccurate when compared with experimental data, but studies are starting to illuminate the earliest moments in freezing. Theories about how ice crystals grow in cooling liquids are wildly inaccurate when compared with experimental data, but studies are starting to illuminate the earliest moments in freezing.

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

Topological Data Analysis for High-Dimensional Dynamic Process Monitoring

arXiv:2606.20443v1 Announce Type: cross Abstract: Real-time process monitoring requires methods that extract actionable information from high-dimensional time-series data. In this work, we present a new approach for process monitoring that combines tools of topological data analysis (TDA) and machine learning. In the proposed approach, we represent multivariate time-series data as manifolds and use topological descriptors to summarize the structure of such data; we then use a neural ordinary differential equation to learn the dynamic evolution of the topological structure of the system. Using real data from an industrial process, we show that this trajectory-based event detection approach is effective at detecting diverse types of events. We contrast this approach against reconstruction-based approaches such as principal component analysis and autoencoders and against a trajectory-based approach that uses Koopman autoencoders.

10.
arXiv (CS.LG) 2026-06-17

Noise-Driven Exploration and Transient Freezing Select Flat Minima in Stochastic Gradient Descent

arXiv:2601.10962v2 Announce Type: replace Abstract: Stochastic gradient descent (SGD) is central to deep learning, yet the dynamical origin of its preference for flatter, more generalizable solutions remains unclear. Here, by analyzing SGD learning dynamics, we identify a nonequilibrium mechanism that governs solution selection during training. Numerical experiments reveal a transient exploratory phase in which SGD trajectories repeatedly escape sharp valleys and migrate toward flatter regions of the loss landscape before becoming confined to a final basin. Using a tractable physical model, we show that SGD noise reshapes the loss landscape into an effective potential that preferentially stabilizes flat solutions. We further uncover a transient freezing mechanism: as training progresses, the flattening landscape suppresses transitions between competing valleys. Stronger SGD noise delays this freezing transition, prolonging the exploratory phase and thereby increasing the probability of convergence to flatter minima. Together, these results provide a unified physical framework connecting learning dynamics, loss-landscape geometry, and generalization, and suggest guiding principles for the design of more effective optimization algorithms.

11.
arXiv (CS.AI) 2026-06-19

The Hidden Evolution of Disguised Visual Context inside the VLM

arXiv:2606.20077v1 Announce Type: cross Abstract: Visual tokens enter Large Language Models (LLMs) as raw, foreign signals. How they are transformed into meaningful representations and interact with the language space depends entirely on the integration architecture. Whether by treating visual tokens as in-context prompts within the input sequence or injecting them directly into the LLM's intermediate layers. A controlled comparison and understanding of how these architectural choices affect visual information and its internal transformation to integrate with the LLM remains underexplored. We provide a fair comparison by evaluating in-context and layer-wise injection VLM integration paradigms under identical training conditions across single image, multi-image, and video benchmarks. In doing so, we uncover a hidden evolution where visual tokens enter the LLM as disguised visual context, raw representations lacking linguistic structure, but are progressively reshaped depending on the integration paradigm, each capturing fundamentally different frequency characteristics of the visual signal. We show that this evolution inside the LLM determines what visual features the VLM can utilize effectively, how visual representations align with the language space, and ultimately how each paradigm performs across different tasks. We further demonstrate that attention allocation alone is insufficient, and that performance is driven by the quality of visual representations at each layer.

12.
arXiv (quant-ph) 2026-06-19

String dynamics of a (2+1)D U(1) quantum link model on a digital quantum computer

arXiv:2606.19601v1 Announce Type: new Abstract: The (2+1)D U(1) pure gauge theory always exists in the confining phase, with strings of non-zero string tension giving a characteristic linear potential between static charges. This makes it a useful testing ground for quantum computing methods designed to study string dynamics of confining gauge theories. Here we implement a minimal U(1) quantum link model on a quantum computer with qubit degrees of freedom representing the dual height variables of the model. This facilitates an efficient realization of plaquette interactions and enables effective calculations of real-time dynamics that are inaccessible to traditional quantum Monte Carlo. A specifically tailored lattice geometry is chosen to match the heavy-hexagonal geometry of the IBM quantum hardware used here, minimizing non-adjacent qubit interactions. By performing quantum quenches from a simple initial string state, we probe the transverse quantum fluctuations of the string before it thermalizes. Our experimental results from digital quantum simulations, with up to 112 qubits, show good agreement with reference tensor-network calculations at short times and with thermal averages at long times. Near the phase transition, the quench dynamics exhibit large fluctuations of the initial string that extend across both spatial dimensions of the lattice. Nonetheless, our error-mitigated estimators from the quantum hardware also give accurate predictions in that regime, with noise-induced violations of local gauge symmetries comparable to finite-bond-dimension tensor-network results.

13.
arXiv (math.PR) 2026-06-19

Critical parameters of germ-monotone families of branching random walks

arXiv:2602.21062v2 Announce Type: replace Abstract: We introduce a broad class of families of branching random walks on a countable set $X$, which we refer to as germ-monotone branching random walks (GMBRWs). The processes in each family are parametrized by a positive parameter $\lambda>0$, which controls the overall reproductive speed, and they are monotonically increasing in $\lambda$ with respect to the germ order, a notion that extends classical stochastic domination. This framework encompasses a wide range of models, including classical continuous-time branching random walks, as well as discrete-time counterparts of certain non-Markovian processes such as ageing branching random walks. We define a general notion of critical parameter $\lambda(A)$ associated with each subset $A \subseteq X$, which serves as a threshold separating almost sure extinction in $A$ from positive probability of survival in $A$. This unifies and extends the classical global and local critical parameters $\lambda_w$ and $\lambda_s$, which can be recovered as special cases. We then investigate how modifications of the reproduction laws, either on a finite set or on a more general subset of $X$, affect these critical parameters. Our results extend earlier contributions in the literature.

14.
bioRxiv (Bioinfo) 2026-06-12

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

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

15.
arXiv (CS.AI) 2026-06-12

Generativism: Toward a Learning Theory for the Age of Generative Artificial Intelligence

arXiv:2606.12441v1 Announce Type: cross Abstract: The four dominant learning theories of behaviorism, cognitivism, constructivism, and connectivism show significant conceptual limitations as generative artificial intelligence (AI) proliferates in educational settings. These frameworks were formulated before the emergence of AI systems capable of generating, synthesizing, and reasoning about knowledge. This article critically examines each learning theory and identifies assumptions challenged by generative AI's affordances. Drawing on research in distributed cognition, extended mind, human-AI collaboration, AI literacy, cognitive offloading, and metacognition, the article proposes Generativism as a learning theory for the generative AI age. Generativism posits that learning increasingly occurs through the iterative co-construction of knowledge between human learners and AI systems. The proposed framework is organized around four principles: epistemic partnership, distributed agency, generative literacy, and adaptive metacognition. The framework offers a foundation for rethinking instructional design, learning, assessment, and expertise development in contexts where generative AI plays an integral role in cognition.

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

Residual-Space Evolutionary Optimization via Flow-based Generative Models

arXiv:2606.20084v1 Announce Type: new Abstract: Data editing with generative methods typically requires differentiable objectives and gradient-based search. However, these assumptions break down in flow-based settings, where edits are performed through forward and backward integration and often involve non-differentiable or black-box objectives. We introduce residual-space evolutionary optimization, a model-agnostic framework that addresses this gap by combining flow-based generative editing with evolutionary algorithms. Building on the observation that conditional flow matching (CFM) can disentangle condition-controlled factors from instance-specific residuals, our framework directly operates in residual space and separates two complementary search regimes: self-pollination performs local exploitation through feature-preserving residual refinement, and cross-pollination promotes broader exploration by recombining residuals across heterogeneous samples. As a proof of concept, we validate on MorphoMNIST, a benchmark dataset for counterfactual generation, and on crystal data, demonstrating that this exploration–exploitation decomposition provides a useful mechanism for balancing target alignment, instance preservation, and diversity, and extends beyond images to real-world scientific domains.

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

HAPI-EP: Towards Hybrid, Adaptive, and Predictive Digital Twins of Cardiac Electrophysiology

arXiv:2606.15637v1 Announce Type: new Abstract: A digital twin (DT) of a patient-specific heart offers significant potential in personalized medicine. However, its rapid and dynamic adaptation to an individual's live data and its predictive capability after adaptation remains central challenges. We examine this challenge from its two building blocks: DT formulation where mechanistic and data-driven models show competing merits and limitations, and DT optimization strategies that are largely driven by a reconstruction objective leading to un-identifiable models. We address both bottlenecks via HAPI – an AI framework for building hybrid, adaptive, and predictive DTs with three key enablers. First, HAPI constructs a physics-integrated gray-box model in which an interpretable mechanistic backbone is augmented by a neural component that models its residual to the observed data. Second, rather than attempting to pre-encode all possible variations in a static hybrid model, HAPI enables rapid on-the-fly adaptation of the hybrid model to few-shot live data, achieved by feedforward meta-learners realizing amortized inference of both mechanistic and neural parameters of the hybrid model trained with predictive objectives. Finally, we show that this adaptivity corresponds to the construction of a conditional generative model (i.e., the hybrid DT) that endows it with theoretical identifiability and thus strong performance in predictive scenarios. We demonstrate the proof-of-concept of HAPI in cardiac electrophysiology using a hybrid monodomain model with mechanistic reaction kinetics and neural graph diffusion. Across synthetic and real-data studies, we show that HAPI's mechanistic-neural hybridization and predictive adaptation are critical for obtaining identifiable DTs with strong predictive and out-of-distribution capabilities.

18.
arXiv (CS.LG) 2026-06-19

Weibull Weight-Scale Parameter Evolution under AdamW Training Dynamics

Authors:

arXiv:2606.19367v1 Announce Type: new Abstract: Building on a two-parameter Weibull framework for diagnosing transformer weight distributions, we study why the Weibull weight-scale parameter $\lambda$ grows, overshoots, and then relaxes during AdamW training. We derive a leading-order three-force decomposition of the squared weight norm from the AdamW update: an alignment force measuring the correlation between weights and the adaptive update direction, an injection force from adaptive step magnitude, and a decay force from decoupled weight decay. On self-trained Pythia-70M models with ground-truth optimizer moments, alignment dominates the rise phase, contributing 88-94% of the absolute force budget across four random seeds and remaining robust to super-weight removal. Near saturation, alignment and decay approach balance, explaining the transition from weight-scale growth to relaxation. These force dynamics directly govern the squared-norm component underlying $\lambda(t)$; the remaining RMS-to-Weibull reconstruction offset is measurable and decomposes into bridge and integration components, totaling approximately 5-6% in densely sampled regions. To extend the analysis to real models where optimizer moments are unavailable, we introduce a spline displacement method that recovers the alignment force from sparse checkpoints with approximately 92-94% accuracy, about twice the naive two-point baseline. We further observe that the peak value of $\lambda(t)$ varies with training-data coherence in our experiments, suggesting a data-dependent component of weight-scale growth that we leave to a controlled follow-up study. Code and data are available at https://github.com/tiexinding/NPM-Weibull-public.

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

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

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

21.
arXiv (CS.LG) 2026-06-17

Resource-Efficient Variational Quantum Classifier

arXiv:2511.09204v3 Announce Type: replace-cross Abstract: We introduce the unambiguous quantum classifier based on Hamming distance measurements combined with classical post-processing. The proposed approach improves classification performance through a more effective use of ansatz expressivity, while requiring significantly fewer circuit evaluations. Moreover, the method demonstrates enhanced robustness to noise, which is crucial for near-term quantum devices. We evaluate the proposed method on a breast cancer classification dataset. The unambiguous classifier achieves an average accuracy of 90%, corresponding to an improvement of 6.9 percentage points over the baseline, while requiring eight times fewer circuit executions per prediction. In the presence of noise, the improvement is reduced to approximately 3.1 percentage points, with the same reduction in execution cost. We substantiate our experimental results with theoretical evidence supporting the practical performance of the approach.

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

Natural Identifiers for Privacy and Data Audits in Large Language Models

arXiv:2606.24408v1 Announce Type: new Abstract: Assessing the privacy of large language models (LLMs) presents significant challenges. In particular, most existing methods for auditing differential privacy require the insertion of specially crafted canary data during training, making them impractical for auditing already-trained models without costly retraining. Additionally, dataset inference, which audits whether a suspect dataset was used to train a model, is infeasible without access to a private non-member held-out dataset. Yet, such held-out datasets are often unavailable or difficult to construct for real-world cases since they have to be from the same distribution (IID) as the suspect data. These limitations severely hinder the ability to conduct scalable, post-hoc audits. To enable such audits, this work introduces natural identifiers (NIDs) as a novel solution to the above-mentioned challenges. NIDs are structured random strings, such as cryptographic hashes and shortened URLs, naturally occurring in common LLM training datasets. Their format enables the generation of unlimited additional random strings from the same distribution, which can act as alternative canaries for audits and as same-distribution held-out data for dataset inference. Our evaluation highlights that indeed, using NIDs, we can facilitate post-hoc differential privacy auditing without any retraining and enable dataset inference for any suspect dataset containing NIDs without the need for a private non-member held-out dataset.

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

CentroidKV: Efficient Long-Context LLM Inference via KV Cache Clustering

Large language models (LLMs) with extended context windows have become increasingly prevalent for tackling complex tasks. However, the substantial Key-Value (KV) cache required for long-context LLMs poses significant deployment challenges. Existing approaches either discard potentially critical information needed for future generations or offer limited efficiency gains due to high computational overhead. In this paper, we introduce CentroidKV, a simple yet effective framework for online KV cache clustering. Our approach is based on the observation that key states exhibit high similarity along the sequence dimension. To enable efficient clustering, we divide the sequence into chunks and propose Chunked Soft Matching, which employs an alternating partition strategy within each chunk and identifies clusters based on similarity. CentroidKV then merges the KV cache within each cluster into a single centroid. Additionally, we provide a theoretical analysis of the computational complexity and the optimality of the intra-chunk partitioning strategy. Extensive experiments across various models and long-context benchmarks demonstrate that CentroidKV achieves up to 75% reduction in KV cache memory usage while maintaining comparable model performance. Moreover, with minimal computational overhead, CentroidKV accelerates the decoding stage of inference by up to $1.92\times$ and increases the serving throughput by up to $4\times$.

24.
arXiv (CS.AI) 2026-06-18

The Long Delay to Arithmetic Generalization: When Learned Representations Outrun Behavior

arXiv:2604.13082v2 Announce Type: replace-cross Abstract: Grokking in transformers trained on algorithmic tasks is characterized by a long delay between training-set fit and abrupt generalization, but the source of that delay remains poorly understood. In encoder-decoder arithmetic models, we argue that this delay reflects limited access to already learned structure rather than failure to acquire that structure in the first place. We study one-step Collatz prediction and find that the encoder organizes parity and residue structure within the first few thousand training steps, while output accuracy remains near chance for tens of thousands more. Causal interventions support the decoder bottleneck hypothesis. Transplanting a trained encoder into a fresh model accelerates grokking by 2.75 times, while transplanting a trained decoder actively hurts. Freezing a converged encoder and retraining only the decoder eliminates the plateau entirely and yields 97.6% accuracy, compared to 86.1% for joint training. What makes the decoder's job harder or easier depends on numeral representation. Across 15 bases, those whose factorization aligns with the Collatz map's arithmetic (e.g., base 24) reach 99.8% accuracy, while binary fails completely because its representations collapse and never recover. The choice of base acts as an inductive bias that controls how much local digit structure the decoder can exploit, producing large differences in learnability from the same underlying task.

25.
bioRxiv (Bioinfo) 2026-06-17

DesignMaster: A Multi-Conditional Diffusion Framework for Rational PROTAC Design

Motivation: Proteolysis-targeting chimeras (PROTACs) enable targeted protein degradation through ternary complex formation with E3 ubiquitin ligase. However, the rational design of PROTACs remains highly challenging due to limited structure-activity relationship data and the vast conformational diversity of linkers. Existing computational approaches can be broadly divided into structure-based ternary modelling methods and fragment-based linker generation models. Although these approaches have advanced PROTAC design, they typically neglect key physicochemical constraints and linker-length control during the generation process, causing the generated PROTACs to lack balanced structural properties required for effective ternary complex formation with drug-like characteristics. Results: To address these limitations, we propose DesignMaster, a diffusion-based generative framework that explicitly incorporates linker length and physicochemical properties as controllable conditioning signals. DesignMaster employs an E(3)-equivariant graph Transformer with a gated multi-condition fusion module to inject linker length and physicochemical constraints throughout the diffusion process, enabling fine-grained and constraint-aware molecular generation. Experiments on PROTAC-DB 2.0 and 3.0 demonstrate that DesignMaster outperforms state-of-the-art baselines, with a 3.2% improvement in validity and a 34.4% improvement in recovery. The Case study shows DesignMaster achieves a 51.78% reduction in RMSD when predicting the linker of PROTAC BCPyr targeting 6W7O, highlighting its potential for practical structure-guided PROTAC design. Availability: The source code and datasets are available at https://github.com/ABILiLab/DesignMaster.