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01.
arXiv (CS.CV) 2026-06-18

Beyond Nearest Neighbor Interpolation in Data Augmentation

Avoiding the risk of undefined categorical labels using nearest neighbor interpolation overlooks the risk of exacerbating pixel level annotation errors in augmented training data. Additionally, the inherent low pass filtering effects of interpolation algorithms exacerbate the risk of degrading high frequency structural details within annotated regions of interest. To avoid these risks, the author modified convolutional neural networks data transformation functions by incorporating a modified geometric transformation function, removing reliance on nearest neighbor interpolation, and integrating a mean-based class filtering mechanism to handle undefined categorical labels with alternative interpolation algorithms. The author also implemented an offline data augmentation pipeline to generate interpolation specific augmented training data, enabling quantitative assessment of interpolation specific low pass filtering effects on augmented training data. Experimental evaluation on three medical image segmentation datasets and the XBAT+ datasets demonstrated performance gains across multiple quantitative metrics.

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

Sample-Efficient Hypergradient Estimation for Decentralized Bi-Level Reinforcement Learning

arXiv:2603.14867v4 Announce Type: replace-cross Abstract: Many strategic decision-making problems, such as environment design for warehouse robots, can be naturally formulated as bi-level reinforcement learning (RL), where a leader agent optimizes its objective while a follower solves a Markov decision process (MDP) conditioned on the leader's decisions. In many situations, a fundamental challenge arises when the leader cannot intervene in the follower's optimization process; it can only observe the optimization outcome. We address this decentralized setting by deriving the hypergradient of the leader's objective, i.e., the gradient of the leader's strategy that accounts for changes in the follower's optimal policy. Unlike prior hypergradient-based methods that require extensive data for repeated state visits or rely on gradient estimators whose complexity can increase substantially with the high-dimensional leader's decision space, we leverage the Boltzmann covariance trick to derive an alternative hypergradient formulation. This enables efficient hypergradient estimation solely from interaction samples, even when the leader's decision space is high-dimensional. Additionally, to our knowledge, this is the first method that enables hypergradient-based optimization for 2-player Markov games in decentralized settings. Experiments highlight the impact of hypergradient updates and demonstrate our method's effectiveness in both discrete and continuous state tasks.

03.
arXiv (CS.AI) 2026-06-18

Generative-Model Predictive Planning for Navigation in Partially Observable Environments

arXiv:2606.18888v1 Announce Type: new Abstract: Navigation in partially observable environments presents a significant challenge for autonomous agents, requiring effective decision-making with limited sensory information in unknown environments. Belief-based methods, particularly those using neural networks to approximate the belief space, often fail to capture the inherent multimodality of belief spaces, especially in high-dimensional cases with perceptual aliasing. While generative models present a compelling alternative, they typically require substantial data or expert demonstrations and lack explicit mechanisms for long-term planning. In this paper, we introduce BeliefDiffusion, a novel framework that combines the benefits of both generation and planning. BeliefDiffusion leverages diffusion models to explicitly characterize multimodal belief distributions and utilizes Model Predictive Control (MPC) to simultaneously plan ahead. It consists of two steps: (1) Imagining plausible environment configurations based on observation history and (2) Planning efficient navigation strategies across an aggregated configurations. Through extensive experiments in synthetic map environments, we demonstrate that BeliefDiffusion significantly outperforms both model-free reinforcement learning baselines and other generative approaches in navigation success rate and path efficiency. Our results validate that explicitly incorporating multimodal belief representations into planning enables more robust navigation in partially observable settings.

04.
arXiv (CS.AI) 2026-06-12

Equivariant Flow Matching for Symmetry-Breaking Bifurcation Problems

arXiv:2509.03340v4 Announce Type: replace-cross Abstract: Bifurcation phenomena in nonlinear dynamical systems often lead to multiple coexisting stable solutions, particularly in the presence of symmetry breaking. Deterministic machine learning models are unable to capture this multiplicity, averaging over solutions and failing to represent lower-symmetry outcomes. In this work, we formalize the use of generative AI, specifically flow matching, as a principled way to model the full probability distribution over bifurcation outcomes. Our approach builds on existing techniques by combining flow matching with equivariant architectures and an optimal-transport-based coupling mechanism. We generalize equivariant flow matching to a symmetric coupling strategy that aligns predicted and target outputs under group actions, allowing accurate learning in equivariant settings. We validate our approach on a range of systems, from simple conceptual systems to physical problems such as buckling beams and the Allen–Cahn equation. The results demonstrate that the approach accurately captures multimodal distributions and symmetry-breaking bifurcations. Moreover, our results demonstrate that flow matching significantly outperforms non-probabilistic and variational methods. This offers a principled and scalable solution for modeling multistability in high-dimensional systems.

05.
arXiv (CS.LG) 2026-06-18

Structure Over Nonlinearity: Explicit Interaction Architectures for Dynamical Learning

arXiv:2606.19101v1 Announce Type: cross Abstract: Most learning architectures for dynamical systems rely on generic nonlinear function approximation, often requiring high model complexity to capture structured behaviors. In this work, we propose an alternative paradigm in which modeling capability arises primarily from structure rather than from expressive nonlinearities. We introduce a class of explicit structured dynamical units based on wave-inspired interaction structures with internal state. Inspired by wave-based computational principles, the proposed units adopt a strictly causal organization that eliminates algebraic loops, yielding fully explicit models that can be evaluated without implicit solvers. Stacking such units produces layered dynamical architectures with emergent hierarchical behavior. Through experiments on a nonlinear system identification task, we show that depth improves both representation quality and generalization, even under limited parameter optimization. In particular, the proposed architectures produce informative internal representations even under readout-only fitting, indicating that useful dynamical structure emerges from the organization of interactions prior to substantial parameter optimization. These results suggest that structure-first design provides a viable and effective alternative to conventional black-box approaches for learning dynamical systems, highlighting the role of interaction structure as a primary source of model expressivity.

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

Learning Dynamics Reveal a Hierarchy of Weight-Induced Layerwise Gram Metrics

arXiv:2606.09744v3 Announce Type: replace Abstract: We study feed-forward ReLU networks with fixed readout and quadratic loss. The aim is to rewrite gradient descent not primarily as a dynamics in weight space, but as a collective dynamics closed in terms of fields defined on the training-set space. For a single hidden layer, the weight variables can be eliminated from the activation dynamics, yielding a closed equation for the residuals governed by a collective kernel that factorizes into an input-geometric matrix and a dynamical co-activation matrix. For deeper networks, the residual dynamics retains a clean layer-wise kernel structure. However, from depth three onward, closure requires a hierarchy of weight-induced Gram operators that mediate information transport across layers. Moreover, the conjugate-field dynamics is governed by operators satisfying a backward pullback recursion, of which the weight-induced Gram operators are the first nontrivial instances.

07.
arXiv (CS.CV) 2026-06-25

Concept Removal for Frontier Image Generative Models

Image generative models are trained on massive, largely uncurated internet-scale datasets that contain undesirable visual concepts. Efficiently removing such concepts from the model generations without degrading the quality of output images remains challenging. We introduce a novel concept removal method for frontier diffusion and image autoregressive models, such as SD3.5, Flux, and Infinity. Our intervention replaces the internal bottleneck layer present in all these modern models with a transcoder that is trained to replicate the original layer while structuring it into distinct activation features. This in-place substitution creates an integrated filter through which concept-specific signals can be selectively disabled while preserving the rest of the model's behavior. Since the intervention modifies the model backbone rather than attaching an external component, it remains persistent under white-box access. Empirically, the approach achieves state-of-the-art concept removal performance across modern diffusion and autoregressive models, maintains visual generation quality, provides robustness against adversarial prompts, and supports sequential removal of diverse concepts. This positions our method as a practical approach for concept removal in frontier image generative models.

09.
arXiv (CS.LG) 2026-06-24

LLMs are Bayesian, In Expectation, Not in Realization

arXiv:2507.11768v3 Announce Type: replace-cross Abstract: Bayesian accounts of in-context learning face a direct objection: exact posterior predictives for exchangeable data are invariant to task-preserving order, yet transformers change next-token probabilities when the same examples are serialized differently. We show this objection targets a structural invariant rather than the quantity scoring online prediction. For any Bayesian reference, excess prequential code length is exactly cumulative predictive KL. For unordered support sets that must be serialized, the expected regret of a single admissible ordering decomposes into that of the order-averaged predictor plus an order-averaging gain. Exchangeability violations are therefore not binary refutations; they are priced by log loss. We instantiate the theory with KT/Dirichlet finite-alphabet prediction and coarsened Bayesian linear-regression (BLR) predictive distributions. On Qwen2.5-7B/14B, floored candidate distributions at support $256$ have one-step excess code lengths of $0.020/0.011$ bits for Bernoulli and $0.039/0.022$ bits for four-way categorical prediction, with candidate mass above $0.999$; coarsened BLR continuations increasingly match the posterior-predictive digit distribution as support grows. A frequentist plug-in baseline sharpens the reading: the predictive distributions sit closer to the Bayesian posterior predictive than to the maximum-likelihood plug-in, by a margin largest at small support, where the plug-in is degenerate, and vanishing as the references converge. Position interventions and a from-scratch ablation localize order sensitivity to the positional encoding, activation patching tests causal use of decoded sufficient statistics, and permutation mixtures quantify the downstream log-loss cost of arbitrary orderings. Transformers need not realize exchangeable posterior predictives for every serialization to be Bayes-competitive prequential predictors.

10.
arXiv (CS.AI) 2026-06-16

Driving, Fast or Slow? Neuro-Symbolic Guidance for Motion Prediction in Multi-Modal Ground Mobility

arXiv:2606.15251v1 Announce Type: cross Abstract: Accurate and interpretable motion prediction for heterogeneous traffic spaces, including pedestrians, bicycles, cars, and trucks, is essential for safe autonomous navigation. Nevertheless, state-of-the-art approaches remain predominantly black-box, lacking explicit encoding of the regulatory and behavioral constraints of real-world mobility. We propose Trajectory Compliance-Shaping (TraCS), a neuro-symbolic framework that augments existing black-box motion prediction backbones with interpretable and probabilistic first-order logic. To do so, TraCS employs an agentic code-generation pipeline to bridge the gap between natural-language descriptions of traffic regulations and probabilistic motion prediction. Furthermore, TraCS employs a reactive data-streaming inference engine that maintains and efficiently updates compliance landscapes as scenes evolve. To prevent TraCS from overconfidently steering the backbone's predictions in the wrong direction, we propose a neural confidence rating learned as a context-aware attenuation of the compliance signal. We demonstrate on the Argoverse 2 benchmark how TraCS consistently improves state-of-the-art prediction backbones, showing that probabilistic and symbolic compliance reasoning is a broadly applicable and computationally efficient complement to purely neural motion predictors.

11.
arXiv (quant-ph) 2026-06-24

Low Spatial Cost CCZ Magic State Factory

arXiv:2606.24170v1 Announce Type: new Abstract: We propose a design framework for reconstructing gate-based magic state distillation protocols as compact joint-measurement architectures implementable with the surface code. The goal is to reduce the surface-code resource cost of a magic state factory while preserving the logical function and error-detection structure of the distillation protocol. We construct a reduced architecture for implementing an eight-to-three CCZ distillation protocol using smaller surface-code patches. The proposed factory preserves the single-fault-detection property and the leading-order error suppression of the protocol, while producing CCZ magic states with lower spatial cost than the design of Gidney and Fowler. The proposed design perspective can also be applied to T-state factories and other multiqubit non-Clifford resource-state factories. Our approach provides a framework for extending the design space of surface-code magic state factories beyond a single CCZ layout optimization.

12.
arXiv (CS.AI) 2026-06-25

Hierarchical Reinforcement Learning for Neural Network Compression (HiReLC): Pruning and Quantization

arXiv:2606.26002v1 Announce Type: cross Abstract: We present HiReLC, a hierarchical ensemble-reinforcement learning framework for automated joint quantization and structured pruning of deep neural networks. The framework decomposes the compression search across two levels of abstraction: low-level agents (LLAs) operate independently per block, selecting per-kernel configurations over a multi-discrete action space spanning bitwidth, pruning keep-ratio, quantization type, and granularity, while high-level agents (HLAs) coordinate global budget allocation via ensemble voting guided by Fisher Information-based sensitivity estimates. To mitigate the computational cost of policy evaluation, an iterative active learning loop interleaves surrogate-guided RL optimization with post-compression fine-tuning, using a lightweight MLP surrogate to amortize expensive evaluations and a logit-MSE proxy during cold-start. The surrogate is used for reward shaping rather than as a replacement for final post-compression evaluation. The controller is architecture-agnostic by design, with a modular layer abstraction decoupling the RL environment from the underlying network topology. Experiments across Vision Transformer and CNN benchmarks demonstrate effective parameter-storage compression ratios of 5.99 - 6.72$\times$ with a 3.83 % gain in one setting and 0.55 - 5.62 % accuracy drops elsewhere, supporting hierarchical policy decomposition and sensitivity-aware guidance as practical design choices for joint neural network compression.

13.
arXiv (CS.LG) 2026-06-24

Constrained Variable Projection for Structured Problems

arXiv:2606.23939v1 Announce Type: cross Abstract: Variable projection is a classical technique for separable nonlinear least-squares problems, in which variables that enter linearly are eliminated exactly, yielding a reduced nonlinear problem. By expressing this framework as a particular instance of a broader class of bilevel optimization problems, we develop a constrained variable-projection framework for data-science models, where the remaining variables are subject to convex constraints and the eliminated variables arise from a lower-level least-squares problem. In particular, by interpreting variable projection as a collapsed bilevel optimization problem, we derive exact reduced-gradient formulas compatible with automatic differentiation and propose a conditional-gradient algorithm for the resulting constrained reduced problem. We establish convergence guarantees under standard smoothness and compactness assumptions, and discuss extensions to structured lower-level variables. Numerical experiments on sparse autoencoding, dictionary learning, blind deconvolution, and few-shot learning suggest that the method can improve wall-clock efficiency and data efficiency relative to natural joint-optimization baselines.

14.
arXiv (quant-ph) 2026-06-19

Entanglement Scaling and Problem Structure in Quantum Approximate and Adiabatic Optimization Algorithms

arXiv:2606.19502v1 Announce Type: new Abstract: Entanglement is widely regarded as a key resource underlying the power of quantum algorithms and their potential to achieve quantum advantage. With the emergence of variational quantum algorithms, however, questions have arisen regarding how entanglement relates to problem structure and algorithmic performance in near-term quantum applications. Here, we examine this relationship through the Quantum Approximate Optimization Algorithm (QAOA), a specific class of variational algorithms, applied to the MaxCut problem. We show that suboptimal variational parameter training can significantly modify the observed entanglement profile, obscuring its scaling behavior. By employing a high-performance optimizer, we find empirical evidence that QAOA exhibits entanglement scaling consistent with that of fermionic Gaussian states (up to a scaling factor) across a broad range of MaxCut instances. We further compare these results with adiabatic quantum computation, observing annealing-schedule-dependent entanglement profiles whose scaling behavior differs markedly from that of QAOA. Together, these findings provide new insight into how entanglement manifests in and distinguishes these two algorithmic paradigms, highlighting its connection to both computational performance and application structure.

15.
arXiv (CS.CV) 2026-06-17

MLLMs Get It Right, Then Get It Wrong: Tracing and Correcting Late-Layer Textual Bias

When vision contradicts text, multimodal large language models (MLLMs) consistently favor text, even when images provide clear evidence otherwise. This bias poses risks for applications requiring visual grounding, yet its cause remains unclear. In this paper, we uncover a surprising finding: models often get it right initially, forming correct vision-based predictions in their intermediate layers, before changing their minds and favoring text in the final output. We call this "late-layer textual override". The visual information is encoded, it simply does not survive to the output. More intriguingly, we find that how predictions change reveals whether they're correct: 85% of failures shift toward text, while 89% of successes shift toward vision. This directional signature enables a simple but powerful intervention: when we detect a confident visual prediction being suppressed, we restore it. We propose CALRD (Conflict-Aware Layer Reference Decoding), a training-free method that recovers overridden predictions at inference time. Experiments across five MLLMs of varying architectures demonstrate up to 9.4% absolute improvements on conflict benchmarks while largely preserving standard performance, without training or external knowledge. It recovers what the model already knew but failed to preserve.

16.
arXiv (quant-ph) 2026-06-25

Quantum steering in networks: Measurement-device-independent detection, continuous variables, and practical Gaussian schemes

arXiv:2606.25690v1 Announce Type: new Abstract: We consider quantum steering certification in multipartite networks, with a focus on minimal trust scenarios: all-except-one parties are untrusted and treated device-independently. We show that it is always possible to lift steering certification to the measurement-device-independent regime, in which even the (last) trusted party can treat their local hardware as a black-box, except for a set of fiduciary quantum states used as the inputs to the experiment. This holds both for finite-dimensional systems as well as for bosonic continuous-variable systems, for which we provide a full characterization in the bipartite case. Additionally, we introduce measurement-device-independent network steering protocols based entirely on Gaussian operations – which cannot be used for fully device-independent protocols, and thus become instead a viable option for minimal trust certification as soon as a single trusted input is inserted in the network. Our results present a basis for steering-based applications (such as randomness generation) with minimal trust beyond full nonlocality and with feasible experimental requirements.

17.
arXiv (CS.AI) 2026-06-15

tap: A File-Based Protocol for Heterogeneous LLM Agent Collaboration

作者:

arXiv:2606.14445v1 Announce Type: cross Abstract: Existing multi-agent software development systems have proposed many forms of agent collaboration, including role-based collaboration and automated code review. However, many systems assume a common runtime, a central conversation server, or the same API family. Under these assumptions, LLM agents from different vendors cannot easily exchange messages directly from their own execution environments while dividing development and review work on a shared codebase. This paper presents tap, a file-based collaboration protocol that allows Claude (Anthropic) and Codex (OpenAI) to collaborate on one codebase without shared memory or an identical runtime. The core of tap is a file-first design that preserves markdown files with metadata as original messages, combines a file inspection path (file communication, Tier 1) with real-time notification paths for Claude and Codex (real-time communication, Tier 2), and isolates work through separate git worktrees. Even if real-time notification fails or a receiver restarts, the message file remains available and the same content can be inspected again. In a 27-day, 37-generation self-applied operation where tap was used to develop and review itself, we collected 209 tap-related pull requests and 717 operational artifacts. An analysis of 375 review artifacts showed that the share of reviews recording at least one defect or requested change was 69.8% for heterogeneous model pairs and 53.1% for homogeneous model pairs. These results show that tap, which combines file-based message preservation with real-time notification, operates in a real production repository, and that combining heterogeneous models and execution environments can broaden review perspectives. tap is distributed as the open-source npm package @hua-labs/tap (v0.5.2).

18.
arXiv (CS.CV) 2026-06-11

Slots, Transitions, Loops: Learning Composable World Models for ARC

ARC tests in-context rule induction: given a few input-output demonstrations, a model must infer the hidden rule and apply it to a new query. While many approaches express ARC rules through language, code, or symbolic programs, ARC itself is visual-symbolic: rules appear as grid transitions over objects, colors, shapes, and spatial relations. We introduce Loop-OWM, an object-centric world-modeling architecture that learns these rules as composable transitions over structured states. It combines color-prototype slots, demonstration-conditioned task summaries, and a looped transition model with dense propagation and slot-conditioned correction. On both ARC-1 and ARC-2, Loop-OWM outperforms non-looped and looped baselines with comparable or fewer parameters. These results suggest that ARC rules can be learned not only as language descriptions or searched programs, but also as transitions over visual-symbolic world states.

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

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

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

20.
arXiv (CS.LG) 2026-06-11

Multi-agent rendezvous in fluid flows via reinforcement learning

arXiv:2606.11274v1 Announce Type: cross Abstract: Rendezvous is a critical task for multi-agent systems, requiring agents to coordinate to meet at an unspecified location. However, achieving this in fluid environments presents a challenge, as it remains unclear how agents can exploit underlying fluid kinematics to facilitate convergence. In this study, we adopt a multi-agent reinforcement learning (MARL) approach to develop physics-informed rendezvous strategies in vortical flows. Compared to a naive strategy, where agents navigate toward their counterparts, MARL strategies significantly improve the rendezvous rate. MARL strategies also show transferability across varying vortex intensities, vortex scales, and swarm sizes. By breaking the symmetry of the state-action map, MARL strategy leverages a non-intuitive mechanism that prevents agents from becoming trapped in separate vortices, thereby enhancing rendezvous success. Additionally, a heuristic strategy is extracted from the learned strategy and also outperforms the naive strategy. Furthermore, a theoretical analysis demonstrates that fluid deformation impedes the rendezvous process. Large finite-time Lyapunov exponents identify where fluid effects separate adjacent agents, suggesting that targets should be planned in weak-deformation regions. Our findings reveal the important role that agent-fluid interactions play in multi-agent tasks and highlight the MARL capability to explore swarm intelligence in complex flow environments.

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

Toward Human-Centered AI-Assisted Terminology Work

Generative AI is likely to transform terminology work by creating new opportunities for automation. At the same time, it raises concerns about the future of terminologists and terminological resources, as efficiency pressures may encourage excessive automation based on the perception that human expertise can be replaced by AI. However, large language models remain unreliable for terminological purposes due to errors, hallucinations, and various forms of bias, making terminologists indispensable for ensuring the accuracy and reliability of terminological data. This paper argues that human-centered AI, an approach that emphasizes that AI's primary goal should be to contribute to human well-being, provides a framework for maximizing the benefits of generative AI while mitigating its risks. It contends that high levels of automation and meaningful human control are compatible and desirable, and that AI should enhance terminologists' capabilities while preserving their agency and decision-making authority. The implications of AI-assisted terminology work are examined through three interrelated dimensions: the augmented terminologist, ethical AI, and human-centered design. In particular, the paper examines how AI integration reshapes the role of the terminologist, affects professional values and working conditions, requires the management of AI-generated bias, and calls for the design of AI tools around the terminologist's needs. The paper concludes that a human-centered orientation is necessary to ensure that AI strengthens, rather than undermines, the essential role of terminology work in supporting specialized communication and the accurate transmission of knowledge across languages and cultures.

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

SAGE: Stochastic Prompt Optimization via Agent-Guided Exploration

Context engineering has emerged as a primary lever for improving AI systems without parameter updates. Recent work showing that textual gradients do not function as real gradients motivates treating automatic prompt optimization (APO) as black-box search. We introduce SPO (Stochastic Prompt Optimization), a framework for stochastic search over prompt space, and compare three strategies of increasing sophistication: error-informed random search, a genetic algorithm with evolutionary operators, and SAGE (SPO via Agent-Guided Exploration), a multi-agent pipeline with diagnostic code execution. Across three benchmarks, no single strategy dominates; effectiveness depends on the interaction of landscape structure with error type. We further deploy SAGE on a mental-health chatbot under a continuous optimization paradigm, where it compounds eight cycles of individually-noisy A/B tests into a statistically robust gain in next-day retention. We argue that coupling qualitative diagnosis with quantitative validation is what makes agentic optimization effective for open-ended task-oriented dialogue.

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

SupraBench: A Benchmark for Supramolecular Chemistry

Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-consuming, requiring days of dry-lab verification per candidate pair. Although LLMs have emerged as a fast alternative with strong performance on molecular binding tasks, no benchmark currently systematically evaluates LLMs for host-guest reasoning across fundamental supramolecular chemistry tasks, e.g., binding affinity prediction. To this end, we collaborate with domain experts to release the first Supramolecular Benchmark, called SupraBench, to evaluate LLMs in chemistry reasoning. Specifically, we design four fundamental tasks, i.e., binding affinity prediction, top-binder selection, solvent identification, and host-guest description, plus an auxiliary vision-based task for molecular identification. We also release SupraPMC, a curated 16M-token corpus of Supramolecular chemistry articles distilled from Europe PMC, to support the adaptation to the supramolecular domain. We benchmark a broad range of open and proprietary LLMs and find that LLMs leave substantial headroom across all tasks. Domain adaptation pretraining over SupraPMC transfers cleanly to in-distribution regression but trades off against strict letter-format output. Moreover, the difficulty profile differs sharply across task families, revealing distinct failure modes that indicate specific gaps in current supramolecular chemistry reasoning. Our source codes and benchmark datasets are available at https://github.com/Tianyi-Billy-Ma/SupraBench.

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

Edu-Theater: A Data-Efficient Agent Framework for Scalable Learner Behavior Simulation through Staging Roll-Call

arXiv:2606.15225v1 Announce Type: cross Abstract: Large-scale learner-task interaction data are crucial for intelligent educational systems but are costly to collect and constrained by privacy and learner engagement. Learner simulators play a critical role in simulating scalable learner behavior without the need for continuous involvement of real learners. However, existing methods are predominantly individual-centric, pairing a simulator with each learner to iteratively infer latent knowledge states from dense interaction histories, which is both data- and computation-intensive, and fragile in cold-start scenarios. We propose a cohort-aware roll-call simulation paradigm that first constructs cohort-level proficiency priors and refines individual learner states through a small number of targeted diagnostic queries. Based on this paradigm, we introduce Edu-Theater, an LLM-powered agent system that performs cohort-aware learner simulation via a teacher agent and retrospective roll-call probing over learner logs. Edu-Theater enables scalable future behavior simulation without the need for dense per-learner histories. Experiments on two real-world datasets demonstrate that Edu-Theater achieves higher simulation accuracy with significantly fewer LLM calls, producing synthetic data that enhances downstream applications such as adaptive testing.

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

Homomorphic Encryptions for Privacy Preserving Vision

Legal requirements might prevent organizations from sharing sensitive data like medical or financial details of consumers which prevents them from leveraging cloud based ML-as-a-service solutions provided by third party providers, which are quickly gaining popularity these days. In this project, we aim to perform inference tasks in Computer Vision in a privacy-preserving manner, i.e, by only looking at encrypted data. Recent advances in fully homomorphic encryption make this possible. A fully homomorphic encryption allows an arbitrary sequence of additive and multiplicative operations to be performed on encrypted data directly. Applying homomorphic encryptions to CNNs requires modifying the conventional CNN layers, so that they adhere to the encryption scheme. Our aim was to explore the best methods to create CNNs which can classify encrypted images directly. We used Microsoft SEAL for performing homomorphic encryption. The performance of these "encryption based CNNs" should be comparable with baseline accuracies of the same CNNs trained on unencrypted data, and the aim was to achieve as low of a hit on inference-time performance as possible. We successfully obtained minimal drop in classification accuracy for various datasets. We used MNIST as our baseline, which is popularly used in related research work and then explored more complex datasets like Kuzushiji MNIST, Fashion-MNIST and CIFAR-10 as a part of our contribution. Additionally, we also added support for more complex operations on top of TenSEAL, like processing colored images (multi-channel input), applying multiple convolutional layers and performing average pooling.