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01.
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.

02.
arXiv (CS.LG) 2026-06-17

The Implicit Bias of Steepest Descent with Mini-batch Stochastic Gradient

arXiv:2602.11557v2 Announce Type: replace Abstract: A variety of widely used optimization methods like SignSGD and Muon can be interpreted as instances of steepest descent under different norm-induced geometries. In this work, we study the implicit bias of mini-batch stochastic steepest descent in multi-class classification, characterizing how batch size, momentum, and variance reduction shape the limiting max-margin behavior and convergence rates under general entry-wise and Schatten-$p$ norms. We show that, without momentum, worst-case convergence and successful classification can only be guaranteed with full-batch gradient. In contrast, momentum enables small-batch convergence to an approximate max-margin solution through a batch-momentum trade-off, though it slows convergence. This approach provides fully explicit, dimension-free rates that improve upon prior results. Moreover, we prove that variance reduction can recover the exact full-batch implicit bias for any batch size, albeit at a slower convergence rate. Finally, we further investigate the batch-size-one steepest descent without momentum, and reveal its convergence to a fundamentally different bias via a concrete data example, which reveals a key limitation of purely stochastic updates. Overall, our unified analysis clarifies when stochastic optimization aligns with full-batch behavior, and paves the way for perform deeper explorations of the training behavior of stochastic gradient steepest descent algorithms.

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

Enabling Real-Time Point-of-Care Ultrasound Segmentation: A GPU-Free Deployment in Resource-Limited Settings

作者:

Ultrasound imaging is the most widely adopted medical modality globally due to its low cost and portability, yet artificial intelligence (AI) deployment remains constrained by reliance on GPU-accelerated models, creating a structural paradox where the cost of "intelligence" exceeds that of the imaging device itself. Here, we present the systematic adaptation and extensive evaluation of UltraSeg, an ultra-lightweight architecture originally developed for colonoscopic polyp segmentation, now engineered for point-of-care ultrasound (POCUS) across ten public datasets spanning six anatomical sites (breast, thyroid, kidney, carotid, fetal, and small-animal tumor). We systematically validate both variants in ultrasound domains: UltraSeg-130K (0.13M parameters) achieves 89.7 FPS on single-core CPUs and 34.8 FPS on a refurbished mobile device, while UltraSeg-500K (0.5M parameters) delivers 44.6 FPS on CPU and 16.1 FPS on mobile device. UltraSeg-500K matches or exceeds the Dice performance of the 31M-parameter UNet and approaches 105M-parameter TransUNet in average performance, with superior zero-shot cross-dataset generalization on external validation sets (UDIAT, DDTI). By enabling clinical-grade segmentation without GPU dependency, this work brings AI costs in line with ultrasound accessibility, making advanced diagnostics available in resource-limited settings.

05.
arXiv (CS.LG) 2026-06-16

Using Reinforcement Learning to Optimize the Global and Local Crossing Number

arXiv:2509.06108v2 Announce Type: replace-cross Abstract: Graph drawing concerns the algorithmic visualization of graphs. A good drawing of a graph is easy to read and facilitates solving tasks on the graph. Several properties have been identified to occur in good drawings of graphs. Such properties include a low number of crossings, large angles between edges, short edges, and depicting symmetries. Many of these properties are explicitly measurable metrics. This brings us to the insight that graph drawing can be seen as a game. In this paper, we study a single-player optimization game in which the player iteratively moves vertices of a straight-line graph drawing to reduce edge crossings. This game arose naturally from the automatic track of the Graph Drawing Challenge, where solutions are obtained by repeatedly performing local vertex movements. We formalize this process as a game with full information and investigate whether reinforcement learning can discover effective strategies for playing it. Our reinforcement-learning agent observes the local geometric and structural context of a vertex and selects a movement direction with the goal of reducing either the global or the local crossing number, that is, the total number of crossings or the maximum number of crossings per edge. We compare the resulting strategies to existing methods and established crossing-minimization heuristics on standard benchmark graphs. While our approach does not out-compete state-of-the-art methods for minimizing the global crossing number, it is competitive and often superior for minimizing the local crossing number.

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

Contextualizing Biological Language Models across Modalities via Logit-Space Contrastive Alignment

arXiv:2606.18703v1 Announce Type: new Abstract: Pretrained biological language models expose per-token probability distributions through masked-token prediction, providing the likelihood interface central to sequence design, variant scoring, and mechanistic interpretation. Yet these distributions are learned from broad unlabeled corpora and are not naturally conditioned on task-specific biological contexts such as interaction partners, cellular environments, or therapeutic interventions. Existing contextual matching methods often distort this interface through pooled embeddings, contrastive latent spaces, or task-specific prediction heads. We introduce LOGICA (Logit-space Contrastive Alignment), a framework for context-conditioned prediction that performs contrastive learning directly in output-logit space. Using gated cross-modal adapters compatible with each model's native token head, LOGICA preserves the pretrained likelihood interface and converts contextualized token log-likelihoods into matching scores. Alignment is defined through context-sensitive token probabilities rather than proximity in a shared embedding space, enabling learning from sparse paired data across models with distinct vocabularies, without a shared tokenizer or decoder. LOGICA is particularly effective for mutation-local variant ranking, where comparisons reduce to context-conditioned likelihoods of mutant tokens at perturbed sites. Across protein–ligand binding, TCR–peptide activity, and drug-conditioned resistance prediction, LOGICA improves over prior state-of-the-art methods, including matched latent-contrastive and conditional MLM baselines, while retaining a token-level interface for interpretation and generation. On held-out-gene single-mutation drug-resistance prediction, LOGICA improves AUC from near-random latent-space baselines of $\sim$0.55 to $\sim$0.65.

07.
arXiv (CS.AI) 2026-06-19

ScaffoldAgent: Utility-Guided Dynamic Outline Optimization for Open-Ended Deep Research

arXiv:2606.20122v1 Announce Type: new Abstract: Open-ended deep research (OEDR) requires systems to acquire knowledge through multi-round retrieval and generate coherent long-form reports. The outline plays a central role as a structural scaffold that coordinates retrieval, evidence organization, and generation. However, existing methods either fix the outline before writing or refine it with local heuristics, leading to scaffold drift under continuous information accumulation and delayed feedback for evaluating outline modifications. We propose ScaffoldAgent, a utility-guided dynamic outline optimization framework for OEDR. ScaffoldAgent models outline evolution as a structured decision process with three operations: Expansion, Contraction, and Revision, enabling controlled updates to the report scaffold. It further introduces a utility-guided feedback mechanism that estimates the downstream value of each outline operation from retrieval gain, structural coherence, and trial-generation quality. The resulting utility signal guides node selection, operation scheduling, and termination during inference. Experiments on DeepResearch Bench and DeepResearch Gym show that ScaffoldAgent consistently improves long-form report generation and factual grounding over existing deep research agents.

08.
arXiv (quant-ph) 2026-06-12

Representation-Induced Symmetry Trapping in Adaptive Variational Quantum Simulations of Multi-Reference Topologies

arXiv:2606.13387v1 Announce Type: new Abstract: Evaluating the trainability of adaptive quantum chemistry algorithms under multi-reference static correlation requires understanding how representation topologies intertwine with molecular geometry. We systematically expose a deep physical dependence on point-group symmetry by evaluating a spin-conserved SUSD operator pool across highly stretched configurations (2 x Re) of asymmetric LiH, symmetric BeH2, and asymmetric H2O. Under asymmetric distortions, the non-local mapping constraints of the Bravyi-Kitaev transformation create an optimization trapping effect–an encodement-locked manifestation of the broader barren plateau crisis. Crucially, by comparing these to the symmetrical stretching baseline of BeH2, we demonstrate that the preservation of point-group symmetry structurally protects the optimization landscape, proving that ansatz symmetry restrictions are necessary but insufficient without accounting for the underlying fermion-to-qubit representation. While current methods rely on numerical pruning to throttle pool sizes, our structural approach establishes that the mapping representation remains a critical factor in maintaining landscape trainability. Furthermore, exploiting structural overlap within our pool, we introduce a covariance-driven, adaptive shot-allocation filter. Diverging from static energy-variance minimization frameworks, our allocation engine operates as a dynamic runtime diagnostic tool. By continuously monitoring the gradient precision threshold epsilon, it aggressively prunes dead symmetry channels and triggers an automated circuit-termination sequence upon detecting representation-induced flat-lined states (dE/dtheta approx 0). This integration of algebraic measurement reuse with topology-aware statistical filtering provides a promising, resource-efficient strategy for executing deep variational algorithms on early fault-tolerant architectures.

09.
Nature (Science) 2026-06-17

A mosaic of whole-body representations on the human precentral gyrus

Understanding how the body is represented in the motor cortex is key to understanding how the brain controls movement. Although the motor cortex has been mapped in animal models at a fine scale1–10, characterization in humans remains primarily limited to low-resolution recording11–16 and stimulation techniques17–20. Here we created a comprehensive map of the human motor cortex at single-neuron resolution, spanning microelectrode array recordings from 20 arrays across 8 individuals with paralysis from spinal cord injury, amyotrophic lateral sclerosis or brainstem stroke, all enrolled in brain–computer interface clinical trials. These arrays broadly sample the crown of the precentral gyrus (PCG; thought to be composed largely of the premotor cortex (Brodmann area 6)). We found that body parts were highly intermixed, such that the entire body was represented in all sampled locations of the PCG, although the relative strength of body parts was roughly consistent with the motor homunculus17,18. We also found two speech-preferential areas with a broadly tuned, orofacial-dominant area in between them. Throughout the PCG, movement representations of the four limbs were interlinked, with homologous movements of different limbs (for example, toe curl and hand close) having correlated representations. These data provide evidence consistent with an intermixed, interrelated and behaviour-centred organization of the motor cortex3,21. The resulting map also provides important targeting information for brain–computer interfaces that seek to restore motor function. A comprehensive map of the human motor cortex at single-neuron resolution is described.

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

FitVTON: Fit-aware Virtual Try-On via Body-Garment Size Control

While diffusion-based virtual try-on has achieved impressive visual realism, most methods treat the task as 2D inpainting, prioritizing texture preservation over physical plausibility. Consequently, they often produce plausible-looking images that fail to reflect authentic garment fit across diverse body shapes. We present FitVTON, a Fit-aware virtual try-on model on different bodies in the wild. FitVTON encodes garment-body size through structured text prompts, and learn from simulated try-on triplets from parameterized garment model. To improve the fitting effects over garment silhouettes, we introduce two auxiliary head to predict the masks for both the garment and the exposed body. We further introduce a texture rectification stage to improve realistic appearance from simulated data. To evaluate the fitting fidelity, we curate a real-world dataset, FittingEffect3K, combining VLM-based scoring protocol. Both subjective and quantitive experiments show that FitVTON demonstrate authentic fitting fidelity, with significant sizing accuracy and shape preservation over state-of-the-art methods while maintaining competitive image quality. Project Page: https://zenoning.github.io/FitVTON/.

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

Measuring Biological Capabilities and Risks of AI Agents

arXiv:2606.19899v1 Announce Type: cross Abstract: This paper addresses a rapidly emerging policy challenge: how to generate and interpret credible evidence about the biological capabilities and risks of AI scientists, or agentic AI systems capable of autonomously or collaboratively performing multi-step scientific tasks. As these systems enter real research workflows, decision-makers increasingly face evaluation results whose meaning depends on underlying design choices that are often implicit or under-documented. We synthesize current evidence on AI-enabled biological risks and introduce biological agentic evaluations as a promising, but interpretation-sensitive, tool for assessing these systems. Our central contribution is a set of practical, experience-grounded considerations – drawing from our own evaluations – that show how choices around defining, designing, running, scoring, and documenting evaluations materially shape what results do and do not imply about risk. The analysis is intended to help policymakers interpret biological evaluation outputs with appropriate caution; guide public and private funders toward high-leverage investments in AI-biology evaluation research; and support biosecurity practitioners assessing emerging AI systems. A secondary audience includes researchers designing or conducting agentic evaluations within frontier AI labs, AI providers, scientific institutions, and third-party evaluation organizations.

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

Under What Conditions Can a Machine Become Genuinely Creative?

作者:

arXiv:2606.13196v1 Announce Type: new Abstract: Recent AI systems can generate texts, software architectures, hypotheses, designs, and scientific workflows that appear creative. This paper asks under what conditions a machine can become genuinely creative, and how human agency can be preserved within shared cognitive and creative environments. It develops a requirement framework derived from Designics, the science of meaning-bearing intentional change. The paper argues that genuine machine creativity should not be defined by output novelty, current performance, or transient architecture alone. Instead, creativity is understood as the structural transformation of incomplete situations through recursive intervention dynamics. On this view, it depends on ten requirements: environment representation, scoped perception, conflict identification, intervention capability, consequence observation, knowledge and environment update, rescoping, local-to-global unfolding, value-based scoping, and human-AI co-living. These are organized through the three laws of Designics: perception, conflict, and capability. The paper illustrates the computational tractability of these requirements through selected cyber-physical and cyber-biological studies, including recursive element extraction, autonomous mesh generation, and neurophysiological and workload analysis. It then treats open-ended systems, automated discovery frameworks, self-modifying agents, foundation models, and agentic workflows as pressure cases: they demonstrate powerful generative means but do not by themselves establish genuine machine creativity. Finally, the paper argues that proactive AI ethics is internal to genuine machine creativity rather than an after-the-fact filter. Value-based scoping and human-AI co-living must shape how creative machines perceive environments, identify conflicts, select interventions, observe consequences, update knowledge, and rescope future action.

13.
arXiv (CS.AI) 2026-06-19

PSCT-Net: Geometry-Aware Pediatric Skull CT Reconstruction via Differentiable Back-Projection and Attention-Guided Refinement

arXiv:2606.19867v1 Announce Type: cross Abstract: Computed Tomography (CT) is essential for diagnosing pediatric craniofacial abnormalities, yet poses radiation risks to developing anatomies. Reconstructing 3D CT from sparse bi-planar X-rays offers a low-dose alternative but is severely ill-posed. Existing methods employ geometry-agnostic feature lifting, naively projecting 2D features into 3D without explicit spatial modeling, causing depth ambiguity and degraded osseous boundaries. We present PSCT-Net, a geometry-aware framework with differentiable back-projection. Differentiable back-projection establishes a spatially faithful volumetric prior, alleviating depth ambiguity. An Attention-Guided Projection (AGP-3D) module then learns non-linear voxel-wise correspondences between 2D regions and 3D locations. A Bidirectional Mamba (BiM-3D) module captures long-range volumetric dependencies with linear complexity. We further curate a private institutional pediatric skull CT cohort, PedSkull-CT, comprising normal and pathological cases for internal evaluation, addressing the gap in adult-centric, trunk-focused datasets.

14.
arXiv (CS.CV) 2026-06-15

Aligned but Stereotypical? How System Prompts Shape Demographic Bias in LLM-Based Text-to-Image Models

Text-to-image (T2I) systems increasingly rely on Large Language Model (LLM)-based text conditioning to interpret and expand user prompts. While this improves prompt understanding and text-image alignment, we find that it can also introduce implicit demographic assumptions, even when demographic attributes are unspecified. To systematically investigate this behavior across varying levels of prompt ambiguity and complexity, we construct a comprehensive benchmark covering diverse prompt settings. Evaluations on eight recent T2I models show that LLM-based systems consistently exhibit stronger demographic skew than non-LLM-based baselines. We further analyze system prompts, a component unique to LLM-based T2I systems that guides prompt interpretation and expansion. Our analyses show that these instructions strongly influence text embeddings, which subsequently leads to biased image generations. Motivated by these findings, we propose FairPro, a training-free debiasing framework that adaptively generates fairness-aware instructions while preserving user intent. Experiments demonstrate that FairPro substantially reduces demographic disparities while maintaining prompt fidelity.

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

Emyx: Fast and efficient all-atom protein generation

arXiv:2606.19377v1 Announce Type: cross Abstract: Computational enzyme design requires generating proteins that scaffold catalytic residues and ligands, a task that demands both geometric accuracy and structural diversity from the underlying generative model. Current all-atom generators inherit expensive architectures from structure prediction, leading to high training costs and limited sample diversity. We argue that much of this complexity is unnecessary for generators, which condition on sparse geometric constraints rather than rich co-evolutionary signals. Emyx is a 140M-parameter conditional flow matching model that concentrates capacity within standard transformer blocks, replacing heavy embedding stacks with lightweight conditional representations and sparse connectivity. We additionally derive an exact reparametrisation of the flow matching interpolant into the EDM noise-level framework, bridging flow matching training efficiency with state-of-the-art sampling methods designed for diffusion models without retraining. Despite being the smallest model, Emyx outperforms both Proteína-Complexa and RFdiffusion3 against the AME enzyme design benchmark across success rate under strict evaluation requiring both global fold recovery and catalytic geometry accuracy, structural novelty, scaffold diversity, and geometric validity, while training in just $682$ GPU-hours, roughly $4\times$ less than RFdiffusion3.

16.
arXiv (CS.CL) 2026-06-18

IndicContextEval: A Benchmark for Evaluating Context Utilisation in Audio Large Language Models Across 8 Indic Languages

AudioLLMs enable speech recognition conditioned on textual prompts such as domain descriptions or entity lists. However, it remains unclear whether these models genuinely utilise such context or rely on parametric knowledge learned during pretraining. Existing benchmarks cannot answer this question because they evaluate transcription under fixed prompting conditions and rarely include explicit contextual inputs. We introduce IndicContextEval, a 56-hour multilingual benchmark of natural speech from 555 speakers across 8 Indian languages and 23 professional domains. We design a 7-level prompting framework that progressively introduces contextual signals, including metadata, natural-language descriptions, entity lists in English and native script, and adversarial prompts with incorrect entities. Evaluating five models reveals substantial differences in context utilisation behaviour, highlighting the need for explicit evaluation of contextual grounding in AudioLLMs.

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

Surrogate-Assisted Framework for SI-Compliant Interconnect Design Optimization Using the Earth Mover's Distance

arXiv:2606.15234v1 Announce Type: cross Abstract: This work presents a deterministic, machine-assisted framework for SI-compliant PCB design based on the Earth Mover's Distance (EMD). In contrast to conventional surrogate-based optimization methods that rely on iterative black-box search procedures, the proposed approach follows an interpretable, sequential evaluation strategy. Neural surrogate models are first used to efficiently predict waveform describing features from topology-dependent design parameters. A decision tree then acts as a physically motivated quality gate that identifies SI-compliant waveforms according to predefined SI criteria. Within the resulting valid solution space, the Earth Mover's Distance is employed as a similarity metric to rank candidate designs according to their proximity to an ideal reference signal. This enables not only the deterministic identification of admissible parameter regions but also a transparent prioritization of physically superior solutions without inverse modeling or stochastic search procedures. The methodology is demonstrated using a large-scale set of simulated DDR3 fly-by waveforms. By combining surrogate prediction, interpretable classification, and EMD-based waveform evaluation, the framework provides an explainable and computationally efficient alternative to conventional optimization strategies for supporting PCB development with AI-based methods.

18.
arXiv (quant-ph) 2026-06-16

Spectrally Corrected Polynomial Approximation for Quantum Singular Value Transformation

arXiv:2603.03998v2 Announce Type: replace Abstract: Quantum Singular Value Transformation (QSVT) provides a unified framework for applying polynomial functions to the singular values of a block-encoded matrix. QSVT prepares a state proportional to $\bA^{-1}\bb$ with circuit depth $O(d\cdot\mathrm{polylog}(N))$, where $d$ is the polynomial degree of the $1/x$ approximation and $N$ is the size of $\bA$. Current polynomial approximation methods are over the continuous interval $[a,1]$, giving $d = O(\sqrt{\kap}\log(1/\varepsilon))$, and make no use of any properties of $\bA$. We observe here that QSVT solution accuracy depends only on the polynomial accuracy at the eigenvalues of $\bA$. When all $N$ eigenvalues are known exactly, a pure spectral polynomial $p_{S}$ can interpolate $1/x$ at these eigenvalues and achieve unit fidelity at reduced degree. But its practical applicability is limited. To address this, we propose a spectral correction that exploits prior knowledge of $K$ eigenvalues of $\bA$. Given any base polynomial $p_0$, such as Remez, of degree $d_0$, a $K\times K$ linear system enforces exact interpolation of $1/x$ only at these $K$ eigenvalues without increasing $d_0$. The spectrally corrected polynomial $p_{SC}$ preserves the continuous error profile between eigenvalues and inherits the parity of $p_0$. QSVT experiments on the 1D Poisson equation demonstrate up to a $5\times$ reduction in circuit depth relative to the base polynomial, at unit fidelity and improved compliance error. The correction is agnostic to the choice of base polynomial and robust to eigenvalue perturbations up to $10\%$ relative error. Extension to the 2D Poisson equation suggests that correcting a small fraction of the spectrum may suffice to achieve fidelity above $0.999$.

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

Squeeze-Release: Iterative Pruning with Exact Structural Minimization

arXiv:2606.14346v1 Announce Type: cross Abstract: Unstructured pruning produces sparse weight tensors, but the standard implementation keeps tensor shapes unchanged so the deployed model is no smaller than before pruning. We present an exact structural rewrite, which we call minimization, that converts a masked network into a smaller dense network with the same forward function up to floating-point rounding. The Squeeze-Release cycle iterates pruning and minimization with an intermediate release step that re-enables the exact-zero positions inside the compacted tensors as small calibrated noise, turning otherwise wasted capacity back into trainable parameters. Successive cycles use that capacity to find structural redundancy a single pass cannot reach. We additionally introduce CompensatedLayerNorm, a function-preserving replacement for LayerNorm that extends minimization to channel reduction across LayerNorm-equipped residual streams. Squeeze-Release compresses the deployable network to 39x smaller than the unpruned model on a fully-connected model network and 14.8x smaller on modern CNN (ConvNeXt-Tiny), at comparable accuracy. In addition we prove that the rewrite can be extended to transformer architectures.

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

Embedded Arena: Iterative Optimization via Hardware Feedback

arXiv:2606.16190v1 Announce Type: cross Abstract: Embedded devices from wildlife monitoring stations to clinical wearables require local AI inference due to latency, communication, or privacy constraints. Optimizing models for heterogeneous microcontrollers (MCUs) requires simultaneously satisfying hard physical constraints on memory, power, and temperature while preserving accuracy, a multidimensional optimization that is today performed manually by experts. We ask whether an LLM agent can autonomously navigate this complex, multi-turn pipeline guided by real hardware feedback, and introduce a hardware-in-the-loop agent arena in which the agent iteratively refines both model and firmware – compiling, flashing, and measuring on real hardware – to enable closed-loop optimization. Frontier models, including Claude Opus 4.7 and Gemini 3.1 Pro, fail entirely without hardware feedback (0% deployment success), whereas our hardware-in-the-loop formulation achieves the first successful deployment within three iterations and can surpass human expert results within seven. This agentic co-optimization achieves 250x compression for vision models with

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

Is Stochastic Gradient Descent Effective? A PDE Perspective on Machine Learning processes

arXiv:2501.08425v3 Announce Type: replace Abstract: In this paper we analyze the behaviour of the stochastic gradient descent (SGD), a widely used method in supervised learning for optimizing neural network weights via a minimization of non-convex loss functions. Since the pioneering work of E, Li and Tai (2017), the underlying structure of such processes can be understood via parabolic PDEs of Fokker-Planck type, which are at the core of our analysis. Even if Fokker-Planck equations have a long history and a extensive literature, almost nothing is known when the potential is non-convex or when the diffusion matrix is degenerate, and this is the main difficulty that we face in our analysis. We identify two different regimes: in the initial phase of SGD, the loss function drives the weights to concentrate around the nearest local minimum. We refer to this phase as the drift regime and we provide quantitative estimates on this concentration phenomenon. Next, we introduce the diffusion regime, where stochastic fluctuations help the learning process to escape suboptimal local minima. We analyze the Mean Exit Time (MET) and prove upper and lower bounds of the MET. Finally, we address the asymptotic convergence of SGD, for a non-convex cost function and a degenerate diffusion matrix, that do not allow to use the standard approaches, and require new techniques. For this purpose, we exploit two different methods: duality and entropy methods. We provide new results about the dynamics and effectiveness of SGD, offering a deep connection between stochastic optimization and PDE theory, and some answers and insights to basic questions in the Machine Learning processes: How long does SGD take to escape from a bad minimum? Do neural network parameters converge using SGD? How do parameters evolve in the first stage of training with SGD?

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

Recursive Scaling in Masked Diffusion Models

arXiv:2606.18022v1 Announce Type: new Abstract: Masked diffusion models (MDMs) have recently emerged as a promising paradigm for sequence generation. Scaling MDMs is conventionally achieved by increasing the parameter count or the number of denoising steps. We introduce Recursive Masked Diffusion Models (R-MDMs), which add recursive depth as a third scaling axis by repeatedly applying the same denoising transformer within each diffusion step. Recursion enables iterative refinement of the output through parameter reuse, increasing effective model depth without increasing parameter count. Across structured generation tasks, including Sudoku and Countdown, we show that R-MDMs achieve substantially improved parameter efficiency: a model with $L$ recursive iterations often matches the performance of non-recursive baselines with roughly $L\times$ more parameters. Moreover, recursive refinement can partially substitute for additional denoising steps, allowing recursive models to reach the same generation quality with fewer forward passes at inference time. These results suggest that recursive depth is a practically useful scaling mechanism for MDMs, improving both parameter efficiency and the allocation of test-time compute.

23.
arXiv (CS.AI) 2026-06-15

Distributional Biases in Post-Training: A Markovian Analysis of Reasoning Trajectories

arXiv:2511.07368v3 Announce Type: replace-cross Abstract: Foundation models exhibit broad knowledge but limited task-specific reasoning, motivating post-training strategies such as RL with verifiable rewards (RLVR) and test-time scaling (TTS). While recent work highlights the role of exploration in improving pass@K, empirical evidence points to a paradox: RLVR and ORM/PRM typically reinforce existing paths rather than expanding the reasoning scope, raising the question of why exploration helps if no new patterns emerge. To reconcile this paradox, we adopt the perspective of Kim et al. (2025), viewing easy (e.g., simplifying a fraction) versus hard (e.g., discovering the some symmetry) reasoning steps as low versus high probability Markov transitions. In this tractable model, pretraining corresponds to tree-graph discovering, while post-training corresponds to CoT reweighting. We provably show that, both RLVR and ORM/PRM would favor heavily to several high-probability paths, and thereby forget rare-but-crucial CoTs. Building on this, we further prove that exploration strategies such as rejecting easy instances and KL regularization help preserve rare CoTs. Empirical simulations corroborate our theoretical results.

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

Distilling latent electrostatics from foundation machine learning interatomic potentials

arXiv:2606.15001v1 Announce Type: cross Abstract: Foundation machine learning interatomic potentials (MLIPs) have enabled atomistic simulations across broad regions of chemical and materials space, but many remain computationally expensive and lack explicit electrostatics, limiting their use for systems governed by long-range interactions and electrical response. Previously, we introduced Latent Ewald Summation (LES), which learns latent atomic charges and long-range electrostatics from density functional theory (DFT) energy and force labels alone. Here, we use LES to extract electrostatics that are latent in foundation models: energies and forces predicted by a teacher model are used to train a lightweight LES-augmented student MLIP, with optional fine-tuning on additional DFT data. The resulting models reduce computational cost while providing access to Born effective charge tensors, and infrared spectra. We benchmark student models distilled from a broad set of foundation MLIPs, including UMA, MACE, Orb, eSEN, GemNet-OC, PET, and EquiformerV2-based models, against experimental infrared spectra for liquid water, concentrated hydrochloric acid, and the anatase TiO2(101)-water interface. Across these systems, electrostatic response can be extracted from most foundation MLIPs. The benchmark further shows that the underlying DFT level and dataset used to train the teacher model play a larger role than architecture in determining electrostatic and spectroscopic accuracy. For the TiO2-water interface, fine-tuning with a modest amount of higher-level DFT data improves structural and infrared predictions. LES-based distillation therefore provides a practical route for converting foundation MLIPs into efficient, electrically responsive models, while also testing the physical fidelity encoded in foundation models.

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

Synthetic Homes: A Multimodal Generative AI Pipeline for Residential Building Data Generation under Data Scarcity

arXiv:2509.09794v5 Announce Type: replace Abstract: Computational models have emerged as powerful tools for multi-scale energy modeling research at the building and urban scale, supporting data-driven analysis across building and urban energy systems. However, these models require large amounts of building parameter data that is often inaccessible, expensive to collect, or subject to privacy constraints. We introduce a modular, multimodal generative Artificial Intelligence (AI) framework that integrates image, tabular, and simulation-based components and produces synthetic residential building datasets from publicly available county records and images, and present an end-to-end pipeline instantiating this framework. To reduce typical Large Language Model (LLM) challenges, we evaluate our model's components using occlusion-based visual focus analysis. Our analysis demonstrates that our selected vision-language model achieves greater visual focus than a GPT-based alternative for building image processing. We also assess realism of our results against a national reference dataset, finding that our synthetic data overlaps more than 95% for three of the four selected variables. This work reduces dependence on costly or restricted data sources, lowering barriers to building-scale energy research and Machine Learning (ML)-driven urban energy modeling, and therefore enabling scalable downstream tasks such as energy modeling, retrofit analysis, and urban-scale simulation under data scarcity.