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

Impact of Connectivity on Laplacian Representations in Reinforcement Learning

arXiv:2603.08558v3 Announce Type: replace Abstract: Learning compact state representations in Markov Decision Processes (MDPs) has proven crucial for addressing the curse of dimensionality in large-scale reinforcement learning (RL) problems. Existing principled approaches leverage structural priors on the MDP by constructing state representations as linear combinations of the state-graph Laplacian eigenvectors. When the transition graph is unknown or the state space is prohibitively large, the graph spectral features can be estimated directly via sample trajectories. In this work, we prove an upper bound on the approximation error of linear value function approximation under the learned spectral features. We show how this error scales with the algebraic connectivity of the state-graph, grounding the approximation quality in the topological structure of the MDP. We further bound the error introduced by the eigenvector estimation itself, leading to an end-to-end error decomposition across the representation learning pipeline. Additionally, our expression of the Laplacian operator for the RL setting, although equivalent to existing ones, prevents some common misunderstandings, of which we show some examples from the literature. Our results hold for general (non-uniform) policies without any assumptions on the symmetry of the induced transition kernel. We validate our theoretical findings with numerical simulations on gridworld environments.

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

Creative Collision: Directorial Persona Steering and Competition in Large Language Models

Activation steering has emerged as a powerful tool for shaping the behaviour of large language models at inference time, yet most prior work injects a single semantic direction into the residual stream. We study the richer setting in which two semantically opposing steering vectors are superimposed – a regime we call Creative Collision. Concretely, we construct directorial persona vectors for Steven Spielberg (optimistic, redemptive moral valence) and Martin Scorsese (dark, morally ambiguous) via mean-difference activation contrast on curated screenplay-derived corpora, then interpolate between them with a scalar mixing parameter $\alpha \in [0,1]$ and a steering coefficient $\lambda$. Across five evaluation axes – moral valence, generation coherence, surface style, directional dominance, and vector geometry – three principal findings emerge: (i)~Spielberg's representational signature exhibits robust directional dominance, suppressing Scorsese's moral influence across almost the entire interpolation range; (ii)~intermediate collision points paradoxically improve generation coherence relative to pure single-director steering at high $\lambda$; and (iii)~both personas localise maximally to layer~28 of a 40-layer decoder-only transformer, revealing a shared moral-tone substrate. These results illuminate the geometry of competing semantic directions in transformer residual streams and have direct implications for controllable creative generation and value-aligned narrative synthesis.

03.
arXiv (CS.AI) 2026-06-15

Listening with Attention: Entropy-Guided Explainability for Transformer-Based Audio Models

arXiv:2606.14647v1 Announce Type: cross Abstract: Transformer-based automatic speech recognition (ASR) models such as Whisper are highly accurate, but their predictions remain difficult to interpret. Existing explainable AI (XAI) methods often lack faithfulness and precise temporal grounding. We propose Listening with Entropy-guided Attention for Faithful explainability (LEAF-X), a model-intrinsic XAI framework for transformer-based ASR. LEAF-X combines entropy-guided attention weighting, multi-layer attention rollout, and optional causal ablations to identify low-entropy, high-impact heads and layers, producing sparse token-to-frame attributions. Unlike perturbation-based explainers or raw attention maps, LEAF-X exploits the internal structure of encoder-decoder and speech-augmented decoder-only models to generate explanations that better reflect model computation. Results show 32% improved faithfulness, 35-39% stronger locality/sparsity, and the most stable attributions, supporting more transparent and auditable ASR.

04.
medRxiv (Medicine) 2026-06-19

A soluble bi-specific fusion protein for the improved expansion of human CD8+ CAR-T cells

The success of Chimeric Antigen Receptor (CAR) T cell therapy is heavily dependent on the quality of the final cellular product. Current expansion protocols often rely on reagents that require removal from cell culture media, posing logistical challenges in manufacturing, and can also lead to terminal differentiation. Here, we evaluate the use of a soluble, bead-free T cell activator, T cell expansion protein (T-CEP), as a streamlined alternative for generating potent CAR-T cells. Human T cells were activated with T-CEP or known T cell activators (Dynabeads and TransAct) and transduced with either CD19 or interleukin-13 (IL-13) mutein (tetravariant-13; TV-13)-based CAR lentiviral vectors. Our results demonstrate that T-CEP supports robust CAR-T cell expansion and achieves transduction efficiencies comparable to commercial reagents for both types of CAR-T cells. Notably, T-CEP significantly favored the expansion of CD8+ T cells, yielding an enhanced CD27+ phenotype and a lower CD4:CD8 ratio compared to TransAct. Cytotoxicity assays confirmed that T-CEP-expanded CAR-T cells possess cytolytic function equivalent to commercial reagents for both CARs, while exhibiting lower levels of inflammatory cytokine secretion. In summary, T-CEP represents a competitive alternative to existing expansion agents, as it does not require its removal during CAR-T manufacturing and generates a CD8+ dominant, less-differentiated phenotype without compromising efficacy.

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

Select and Improve: Understanding the Mechanics of Post-Training for Reasoning

arXiv:2606.13125v1 Announce Type: cross Abstract: Reinforcement learning has rapidly emerged as a key component in the training of reasoning and coding models, yet it remains poorly understood from a mechanistic perspective. We study how and through what underlying processes capabilities are acquired or enhanced via reinforcement learning post-training. Our analysis, based on controlled math reasoning experiments with Qwen-2.5-1.5B, reveals two core mechanisms: strategy selection and strategy improvement. Our results highlight the role of SFT data and reinforcement learning data in activating these mechanisms, in particular showing how supervising the model on diverse reasoning strategies can enable strategy selection and how increasing difficulty in reinforcement learning data can enable strategy improvement. Taken together, our results provide mechanistic insight into RL training and suggest practical interventions to continue scaling reasoning capabilities.

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

Signature filtering: a lightweight enhancement for statistical watermark detection in large language models

arXiv:2606.18430v1 Announce Type: new Abstract: Statistical watermarks help organizations attribute large language model (LLM) outputs, yet existing detectors often struggle when watermark signals are weak, texts are repetitive, or watermarks are edited. We propose signature filtering, a detection-time module that enhances watermark detection without modifying watermark embedding and text generation. It learns a small set of ``signature'' tokens whose presence makes watermark tests unreliable, and removes these tokens before detection. The signatures are obtained by solving a mixed-integer linear program on a small training set, with constraints that maximize the true positive rate. We additionally derive finite-sample and asymptotic bounds under several attacker models (color-blind, color-adaptive, and distributionally correlated). On four well-known watermark families (Kgw, Sweet, Unigram, Exp), four benchmark corpora (C4, MBPP, HumanEval, Code-Search-Net), and six LLMs (Opt-1.3b, Opt-6.7b, Llama2-13b, Llama3.1-8b, Qwen2.5-14b, Phi-3-medium-14b), 2- and 3-gram signatures raise detection rates in weak-signal and low-entropy settings from 8~31% without filtering to 78~99% with filtering, while keeping false positives controllable and often negligible. In stress tests where we scramble sentences and perturb 25~50% of tokens by dilution, deletions, and substitutions, 2-gram filters for Kgw-style watermarks preserve most of the clean-text detection gains, often matching or outperforming the advanced WinMax watermark detector. Signature filtering thus provides a simple, scalable, and model-agnostic add-on to strengthen watermark-based provenance checks for LLM text in information processing workflows.

07.
arXiv (CS.LG) 2026-06-16

FEnc$^2$: Unifying Data Packing for Efficient Private Inference via Convolution and Architecture-Aware Fragment Encoding

arXiv:2606.16359v1 Announce Type: cross Abstract: Fully Homomorphic Encryption (FHE) enables privacy-preserving machine learning but incurs extreme computational and memory overhead. These costs come not only from expensive low-level primitives, including Number Theoretic Transform (NTT), rotation, and key-switching, but also from inefficient ciphertext packing at the application level. Existing packing strategies typically preserve either neighboring data elements or feature grouping, but not both, leading to wasted ciphertext slots, excessive rotations, and inflated ciphertext counts. We propose FEnc2, a unified and principled fragment-based encoding framework for CKKS-based private convolutional neural network inference. FEnc2 optimizes slot utilization, rotation complexity, and ciphertext density through two components: 1)Conv-aware Encoding, which analytically selects an optimal fragment size to decouple spatial dependencies and jointly minimize inner-outer rotations across layers, and 2)Arch-aware Ct Compression, which restores ciphertext density after feature- or channel-reduction layers. Together, these transformations reshape encrypted workload structure and reduce homomorphic operations by one to two orders of magnitude. With full memory capacity utilized, i.e., at maximum batch size, FEnc2 achieves end-to-end latency speedups over the state-of-the-art Orion of up to 228.83x on GPU and 226.06x on CPU for LeNet on MNIST, and up to 4.55x on GPU and 9.43x on CPU for MobileNet on ImageNet. FEnc2 is hardware-agnostic yet architecturally transformative: by optimizing encrypted tensor layout before execution, it reduces ciphertext count and workload pressure on hardware, complementing primitive-level optimizations such as NTT and keyswitch accelerators. These results show that application-level data layout is a first-order architectural design dimension for encrypted inference and an important enabler for next-generation FHE systems.

08.
arXiv (CS.AI) 2026-06-11

Nonslop: A Gamified Experiment in Human-AI Collaborative Writing

arXiv:2606.12350v1 Announce Type: new Abstract: The rapid proliferation of large language models (LLMs) raises critical questions about human creativity and individual expression in an era of AI-assisted creation. When do humans adopt AI suggestions, and what are the implications for individual voice? This study examines these questions through a gamified writing exercise where 74 participants (214 responses) replied to prompts while AI-generated word suggestions were available as they wrote. The game simulates a dystopian future in which an AI is attempting to learn from what remains of human individuality, and disincentivizes AI-like writing. In doing so, it attempts to create conditions that reveal authentic user preferences rather than default behaviors, such as accepting a readily available AI-generated suggestion. Note that this is a deliberate inversion of the "helpful assistant" design pattern; the system is explicitly forbidding you from accepting AI suggestions. We analyze user behavior patterns across different task types, user behaviors, and response characteristics to understand the factors influencing human-AI interaction in creative tasks. The study focuses on when users choose to maintain creative autonomy versus violating the rules of the game and accepting AI assistance. It also explores how these choices relate to response patterns, task characteristics, and user behavior. This gamified approach offers both a framework for studying authentic human-AI interaction and a provocative lens for understanding the tension between efficiency and authenticity in AI-augmented creativity.

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

Automating SKILL.md Generation for Computer-Using Agents via Interaction Trajectory Mining

arXiv:2606.20363v1 Announce Type: new Abstract: Explicit skill libraries make computer-using agents easier to inspect, but it remains unclear whether such libraries can be mined from interaction data in a way that improves downstream policies. We study this question through a three-stage pipeline that segments GUI trajectories, clusters segments into candidate skills, and trains a skill-aware policy from the resulting annotations. The mined clusters are readable on the source benchmark: five of eight clusters have at least 0.95 purity against InteraSkill Workflows labels. However, readability does not imply transfer. GRPO improves IW skill-step accuracy only from 18.5\% to 20.5\%, leaves BrowseComp+ essentially unchanged, and underperforms trivial frequency priors on key source-domain metrics. We therefore present the method as a diagnostic study: trajectory mining can expose inspectable skill structure, but the current boundary detector, orderless segment representation, and offline reward model are insufficient for reliable cross-domain policy improvement.

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

MVAD: A Benchmark Dataset for Multimodal AI-Generated Video-Audio Detection

The rapid advancement of AI-generated multimodal video-audio content has raised significant concerns regarding information security and content authenticity. Existing synthetic video datasets predominantly focus on the visual modality alone, while the few incorporating audio are largely confined to facial deepfakes–a limitation that fails to address the expanding landscape of general multimodal AI-generated content and substantially impedes the development of trustworthy detection systems. To bridge this critical gap, we introduce the Multimodal Video-Audio Dataset (MVAD), the first comprehensive dataset specifically designed for detecting AI-generated multimodal video-audio content. Our dataset exhibits three key characteristics: (1) genuine multimodality with samples generated according to three realistic video-audio forgery patterns; (2) high perceptual quality achieved through diverse state-of-the-art generative models; and (3) comprehensive diversity spanning realistic and anime visual styles, four content categories (humans, animals, objects, and scenes), and four video-audio multimodal data types. Our dataset will be available at https://github.com/HuMengXue0104/MVAD.

11.
arXiv (CS.LG) 2026-06-12

Data-driven Lake Water Quality Forecasting for Time Series with Missing Data using Machine Learning

arXiv:2601.15503v2 Announce Type: replace Abstract: Volunteer-led lake monitoring yields irregular, seasonal time series with many gaps arising from ice cover, weather-related access constraints, and occasional human errors, complicating forecasting and early warning of harmful algal blooms. We study Secchi Disk Depth (SDD) forecasting on a 30-lake, data-rich subset drawn from three decades of in-situ records collected across Maine lakes. Missingness is handled via Multiple Imputation by Chained Equations (MICE), and we evaluate performance with a normalized Mean Absolute Error (nMAE) metric for cross-lake comparability. Among six candidates, ridge regression provides the best mean test performance. Using ridge regression, we then quantify the minimal sample size, showing that under a backward, recent-history protocol, the model reaches within 5% of full-history accuracy with approximately 176 training samples per lake on average. We also identify a minimal feature set, where a compact four-feature subset matches the thirteen-feature baseline within the same 5% tolerance. Bringing these results together, we introduce a joint feasibility function that identifies the minimal training history and fewest predictors sufficient to achieve the target of staying within 5% of the complete-history, full-feature baseline. In our study, meeting the 5% accuracy target required about 64 recent samples and just one predictor per lake, highlighting the practicality of targeted monitoring. Hence, our joint feasibility strategy unifies recent-history length and feature choice under a fixed accuracy target, yielding a simple, efficient rule for setting sampling effort and measurement priorities for lake researchers.

12.
arXiv (CS.AI) 2026-06-24

Impatient Bandits: Optimizing for the Long-Term Without Delay

arXiv:2501.07761v2 Announce Type: replace-cross Abstract: Increasingly, recommender systems are tasked with improving users' long-term satisfaction. In this context, we study a content exploration task, which we formalize as a bandit problem with delayed rewards. There is an apparent trade-off in choosing the learning signal: waiting for the full reward to become available might take several weeks, slowing the rate of learning, whereas using short-term proxy rewards reflects the actual long-term goal only imperfectly. First, we develop a predictive model of delayed rewards that incorporates all information obtained to date. Rewards as well as shorter-term surrogate outcomes are combined through a Bayesian filter to obtain a probabilistic belief. Second, we devise a bandit algorithm that quickly learns to identify content aligned with long-term success using this new predictive model. We prove a regret bound for our algorithm that depends on the Value of Progressive Feedback, an information-theoretic metric that captures the quality of short-term leading indicators that are observed prior to the long-term reward. We apply our approach to a podcast recommendation problem, where we seek to recommend shows that users engage with repeatedly over two months. We empirically validate that our approach significantly outperforms methods that optimize for short-term proxies or rely solely on delayed rewards, as demonstrated by an A/B test in a recommendation system that serves hundreds of millions of users.

13.
arXiv (CS.LG) 2026-06-11

The ASE-LSE Disagreement Landscape: An End-to-End Characterisation of Extremes and Structural Drivers

arXiv:2605.22346v3 Announce Type: replace-cross Abstract: Two of the most widely used methods for analysing graph data, Adjacency Spectral Embedding and Laplacian Spectral Embedding, often produce different results when applied to the same graph. Yet the structural reasons behind this disagreement remain incompletely understood. This paper provides an end-to-end account of ASE-LSE latent subspace disagreement. We first prove that the two methods produce identical latent subspaces for every embedding dimension whenever the Laplacian is a scalar multiple of the adjacency matrix, and show that this scalar relationship holds if and only if the graph is either regular or bipartite biregular. This anchor result identifies a sufficient condition for perfect agreement that pins down the floor of the disagreement spectrum and supplies the baseline for the perturbation analysis. We then prove that no maximal-disagreement graph or family of graphs exists: the disagreement is always strictly below its theoretical ceiling, and we exhibit a witness family demonstrating that no finite maximum is attainable, so the disagreement landscape has no maximiser. With both endpoints established, we derive a Regularity Departure Bound whose two terms isolate degree heterogeneity and eigengap as the primary structural factors influencing disagreement in the middle regime. Empirical validation across thousands of simulated graphs confirms the mechanisms predicted by the bound: heterogeneity pushes disagreement up, eigengap suppresses it, and their joint ratio emerges as a unified predictor of ASE-LSE disagreement, suggesting when the two embeddings can be treated as interchangeable and when they cannot.

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

When Roleplaying, Do Models Believe What They Say?

Language models can state that "the Earth orbits the Sun" and, when role-playing Aristotle, assert the opposite. Recent work argues that persona adoption is fundamental to how language models operate, with models constantly selecting the most appropriate persona for a given context. Does such role-playing merely change the model's outputs, or does it also affect what the model internally represents as truthful? We study this question with linear truth probes, applying them to LLMs role-playing historical personas whose likely beliefs differ from modern consensus. For each persona, we compare false claims the persona would likely have endorsed (*era-believed*) with topic-matched false claims they would not have endorsed (*era-false*). Across prompting, in-context learning, and supervised fine-tuning, persona induction suppresses era-believed statements less than equally false alternatives, yet they remain classified as false overall. Role-play therefore shifts what these models say more than what they internally represent as true. We contrast this with models trained on harmful advice that exhibit Emergent Misalignment (EM). Across three model families (Qwen 2.5 14B, Qwen 3 8B, and Llama 3.3 70B), their false claims move substantially toward the true region of probe space, are defended under challenge roughly half the time versus about a sixth for role-play, and are used in downstream reasoning. Role-play and Emergent Misalignment thus are points on a spectrum of belief internalization, where role-play changes what a model says with little representational change, while Emergent Misalignment shifts the internal representation of false claims without fully marking them as true.

15.
arXiv (CS.CL) 2026-06-24

AfriqueLLM: How Data Mixing and Model Architecture Impact Continued Pre-training for African Languages

Large language models (LLMs) are increasingly multilingual, yet open models continue to underperform relative to proprietary systems, with the gap most pronounced for African languages. Continued pre-training (CPT) offers a practical route to language adaptation, but improvements on demanding capabilities such as mathematical reasoning often remain limited. This limitation is driven in part by the uneven domain coverage and missing task-relevant knowledge that characterize many low-resource language corpora. We present \texttt{AfriqueLLM}, a suite of open LLMs adapted to 20 African languages through CPT on 26B tokens. We perform a comprehensive empirical study across five base models spanning sizes and architectures, including Llama 3.1, Gemma 3, and Qwen 3, and systematically analyze how CPT data composition shapes downstream performance. In particular, we vary mixtures that include math, code, and synthetic translated data, and evaluate the resulting models on a range of multilingual benchmarks. Our results identify data composition as the primary driver of CPT gains. Adding math, code, and synthetic translated data yields consistent improvements, including on reasoning-oriented evaluations. Within a fixed architecture, larger models typically improve performance, but architectural choices dominate scale when comparing across model families. Moreover, strong multilingual performance in the base model does not reliably predict post-CPT outcomes; robust architectures coupled with task-aligned data provide a more dependable recipe. Finally, our best models improve long-context performance, including document-level translation. Models and code have been released on [Huggingface](https://huggingface.co/collections/McGill-NLP/afriquellm) and [Github](https://github.com/McGill-NLP/AfriqueLLM).

16.
medRxiv (Medicine) 2026-06-16

Utilising Artificial Intelligence to Identify Ventricular Tachycardia Ablation Targets in Sinus Rhythm

Background and Aims: Machine learning has shown potential in predicting ablation targets for ventricular tachycardia (VT) in an animal model. This study progresses to externally validating deep learning approaches for human data. Methods: The development and external validation dataset included 21 and 13 patients, respectively, with structural VT undergoing catheter ablation. In the development datasets, electrophysiological studies were conducted using the AdvisorTM HD grid (EnsiteTM X), while both CARTO and Ensite Precision were used in the validation dataset. In each patient, VT ablation targets were defined as mapping points within 8 mm of VT isthmuses. Three advanced machine learning models were trained using cardiac mapping data acquired in both omnipolar and unipolar configurations during sinus rhythm and ventricular pacing. Discrimination was evaluated using nested leave-one-out cross-validation at patient level. Results: Overall, graph convolutional networks (GCNs), which integrate intracardiac signal waveforms with three-dimensional electroanatomical geometries, achieved the highest performance, with optimal results obtained from unipolar electrograms acquired in sinus rhythm (median AUC 0.793, sensitivity 83.6%, specificity 69.0%). This may be partly explained by the inclusion of repolarization dynamics in unipolar electrograms and the higher point density of sinus rhythm maps. Comparable performance was observed in the external dataset. Conclusion: This study demonstrates that graph convolutional networks applied to sinus rhythm EGM waveforms collected during substrate mapping can localise critical components of VT re-entry circuits. This approach has potential to provide fast and accurate ablation guidance without the need to induce and map VT, improving safety and efficacy of VT catheter ablation.

17.
arXiv (CS.AI) 2026-06-24

ASALT: Adaptive State Alignment for Lateral Transfer in Multi-agent Reinforcement Learning

arXiv:2606.24601v1 Announce Type: new Abstract: Multi-agent reinforcement learning (MARL) addresses the problem of training multiple agents that pursue collaborative, competitive, or mixed objectives. Prior work has investigated transfer learning between source and target domains in MARL; however, the majority of existing approaches impose the constraint that the dimensionalities of the observation space and the global state space must be identical across domains. In this paper, we introduce a method that explicitly accommodates mismatched state-space dimensionalities between source and target domains. The proposed approach, ASALT, incorporates both observation-level and state-level adapters that map the target-domain observations and global states into a shared embedding space, thereby enabling more effective transfer of knowledge across both actors and critics. These adapters can generate embeddings that support efficient strategy transfer across heterogeneous domains. Experimental results on multiple configurations in standard benchmark environments demonstrate that ASALT surpasses existing baselines in terms of sample efficiency and global return in cooperative settings, but its effectiveness depends on the degree of mismatch between source and target domains. Furthermore, our findings indicate that ASALT mitigates negative transfer, which frequently constitutes a major obstacle when transferring policies between domains with differing observation and action spaces.

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

Searching for Synergy in Shared Workspace Human-AI Collaboration

arXiv:2606.18413v1 Announce Type: new Abstract: Automated AI agents are increasingly capable, yet many scientific and professional tasks require human judgment and contextual expertise. We study shared-workspace human-AI teams, where AI agents and human collaborators must coordinate responsibilities before submitting a final answer. Using the Collaborative Gym environment with DiscoveryBench tasks, we examine when adding simulated human collaborators improves performance and when process loss turns additional collaborators into coordination overhead. Across 1,482 sessions, adding relevant collaborators can lower performance when teams lack structure to coordinate their contributions. We then evaluate scaffolding that combines shared group memory with simulated human-in-the-loop (HITL) gates, where selected actions require approval from a designated simulated participant. This scaffolding yields higher mean performance, most clearly in three-person teams, with clearer responsibility signals and stronger routing of expertise to team actions. Overall, how human-AI teams coordinate and integrate expertise matters as much as the capability available to them.

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

SEAL: Searching Expandable Architectures for Incremental Learning

arXiv:2505.10457v3 Announce Type: replace-cross Abstract: Incremental learning is a machine learning paradigm where a model learns from a sequential stream of tasks. This setting poses a key challenge: balancing plasticity (learning new tasks) and stability (preserving past knowledge). Neural Architecture Search (NAS), a branch of AutoML, automates the design of the architecture of Deep Neural Networks and has shown success in static settings. However, existing NAS-based approaches to incremental learning often rely on expanding the model at every task, making them impractical in resource-constrained environments. In this work, we introduce SEAL, a NAS-based framework tailored for data-incremental learning, a scenario where disjoint data samples arrive sequentially and are not stored for future access. SEAL adapts the model structure dynamically by expanding it only when necessary, based on a capacity estimation metric. Stability is preserved through cross-distillation training after each expansion step. The NAS component jointly searches for both the architecture and the optimal expansion policy. Experiments across multiple benchmarks demonstrate that SEAL effectively reduces forgetting and enhances accuracy while allocating additional capacity only when required. These results highlight the promise of combining NAS and selective expansion for efficient, adaptive learning in incremental scenarios.

20.
arXiv (CS.LG) 2026-06-15

Curvature-Guided Geometric Representation for Protein-Ligand Binding Affinity Prediction

arXiv:2606.14159v1 Announce Type: new Abstract: Protein-ligand binding affinity (PLA) prediction is critical in drug discovery. Despite the notable advancements in machine learning-based approaches, existing methods struggle to jointly characterize local geometric organization and globally coordinated cross-molecular interactions, limiting their ability to model complex binding mechanisms. Here, we propose RicciBind, a geometric representation framework that integrates curvature-guided hierarchical structure learning with optimal transport (OT)-based cross-domain alignment to model molecular interactions. Specifically, RicciBind leverages Ricci curvature to capture local interaction tightness within molecular structures, enhancing structural awareness and organizing atomic interactions into curvature-aware hierarchical representations. An OT-based cluster matching mechanism then aligns protein and ligand clusters across heterogeneous domains under geometric constraints, enabling globally consistent correspondences and revealing higher-order interaction patterns beyond local neighborhoods. By coupling curvature-guided structure encoding with OT-driven cross-domain alignment, RicciBind effectively models complex interaction semantics and substantially improves both the accuracy and interpretability of binding affinity prediction. Extensive experiments demonstrate that RicciBind achieved superior predictive performance and generalization across PLA benchmarks and virtual screening tasks. Ablation studies further confirmed the essential role of Ricci curvature in enhancing molecular interaction representations.

21.
arXiv (CS.CV) 2026-06-18

FlowObject: Flow Steering for Bridging Generative Priors and Reconstruction Fidelity

Recovering complete 3D representations of objects from few casual image captures remains a significant challenge. Recent 3D generative models, particularly those based on Flow-Matching (FM), can synthesize high-quality textured assets; however, they often suffer from ''synthetic bias'' where learned priors override observational evidence, alongside a lack of alignment with the observed instance. Conversely, optimization-based methods like 3D Gaussian Splatting (3DGS) provide high fidelity on visible surfaces but fail to reason about unobserved geometry. In this paper, we present FlowObject, a framework that reformulates sparse-view 3D reconstruction as a training-free, guided inverse problem. Our approach applies a dual-space guidance strategy to steer the Ordinary Differential Equation (ODE) trajectory of a flow-matching model, enabling the completion of unseen regions through learned generative priors while enforcing strict consistency with real-world observations. By integrating a 3DGS refinement stage, FlowObject further bridges the gap between ''synthetic-looking'' generative outputs and photorealistic reconstructions. Comprehensive benchmarks on synthetic and real-world datasets demonstrate that current state-of-the-art methods often struggle to achieve geometric completeness and observational consistency simultaneously, especially under severe occlusions. In contrast, our method significantly outperforms state-of-the-art generative models and optimization-based frameworks in both geometric completeness and view-dependent appearance fidelity.

22.
arXiv (CS.CL) 2026-06-18

Want Better Synthetic Data? Steer It: Activation Steering for Low-Resource Language Generation

Large language models (LLMs) have become an effective tool for synthetic data generation, including for low-resource languages, where generated data can improve downstream task performance. Current best-performing approaches typically rely on few-shot prompting with target-language examples, which increases inference costs and may reduce diversity through lexical anchoring. In this work, we investigate activation steering as an alternative for low-resource synthetic data generation. We study two steering strategies: Language Steering, which targets the linguistic identity of a language, and Quality Steering, which captures well-formedness by contrasting human-written and backtranslated text representations. We evaluate these methods across four open-source LLMs, multiple layers, and 11 typologically diverse languages by generating sentiment and topic classification data and finetuning smaller classifiers. Steering is applied in both zero-shot and few-shot prompting settings and compared against non-steered counterparts. Our results show that steering on early layers consistently improves the diversity of generated data while often yielding stronger downstream model performance, particularly for low-resource languages.

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

Overcoming the Impedance Mismatch: A Theoretical Roadmap for Fusing Foundation Models and Knowledge Graphs

arXiv:2606.15656v1 Announce Type: new Abstract: Modern artificial intelligence remains fundamentally divided between the continuous, probabilistic spaces of Foundation Models and the discrete, deterministic structures of Knowledge Graphs. While Retrieval-Augmented Generation (RAG) attempts to connect them by serializing graph data into text, we argue this lexical bridging is merely a superficial patch. In this paper, we formalize the underlying structural and geometric friction as the Impedance Mismatch. By categorizing current neuro-symbolic integration strategies into a three-tiered hierarchy, we demonstrate that neither surface-level prompt injection nor continuous representation alignment can preserve the strict logical motifs required for reliable multi-hop reasoning. We define the specific mathematical limits, such as the Lexical Bottleneck and Topological Collapse, that show current architectures will eventually hallucinate or conflate semantic nodes. To achieve true semantic fusion, we propose a rigorous theoretical roadmap. We advocate for natively internalizing discrete symbolic structures through Structured Residual Streams, utilizing Vector Symbolic Architectures for latent sub-graph injection, and performing model updates via Orthogonal Subspace Editing. This actionable framework paves the way for models that seamlessly fuse the precision of symbolic logic with the expressivity of parametric memory.

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

HandwritingAgent: Language-Driven Handwriting Synthesis in Scalable Vector Space

Teaching machines to emulate natural handwriting styles remains an open challenge, as it requires synthesizing stroke sequences that dynamically vary in shape, texture, pressure and script - not only across individuals, but also within a single person's handwriting. Attempts at this challenge have largely explored deep learning methods in both online and offline settings. However, these approaches are often constrained by style-specific architectural choices, heavy reliance on large datasets, high compute costs, and a lack of flexible control over writing styles through natural language. To this end, we introduce HandwritingAgent, a language-driven agent that can synthesize natural handwriting sequences directly in Scalable Vector Graphics (SVG) format with no need for style-specific training. The agent leverages a large reasoning model to geometrically analyse and autoregressively generate target handwritten glyphs as stroke sequences in a discrete grid canvas environment. Generation is conditioned on texts provided in either conversational or non-conversational mode, along with a reference handwriting-style image. Experiments on diverse handwriting tasks spanning imitation, recognition, multi-lingual handwriting synthesis, and generation of complex handwritten maths and science expressions indicate substantial improvement in performance, with HandwritingAgent matching or surpassing state-of-the-art generative handwriting models, while providing a more efficient, controllable, and generalizable synthesis method.

25.
arXiv (CS.LG) 2026-06-11

Bergson: An Open Source Library for Data Attribution

arXiv:2606.11660v1 Announce Type: new Abstract: Data attribution is a promising field in interpretability that aims to explain model behavior through the influence of its training data, with applications including debugging undesirable model behavior and training dataset curation. However, significant engineering effort is required to perform it at scale, and many cutting edge techniques lack open-source tooling and support. Bergson is an open source library that aims to enable faster progress in the field by providing a host of techniques that scale to very large language models and pre-training datasets. The library natively supports on-disk gradient stores and multi-node distributed training, and provides quality of life tools for researchers. Finally, we introduce the first open-source implementations of three leading data attribution methods: MAGIC, SOURCE, and TrackStar. The library is available at https://github.com/EleutherAI/bergson .