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

ARIADNE: Agnostic Routing for Inference-time Adapter DyNamic sElection

arXiv:2606.19079v1 Announce Type: new Abstract: The increasing deployment of parameter-efficient fine-tuning (PEFT) has led to model ecosystems in which a single backbone is paired with many task-specialized adapters. In this setting, inference-time queries often arrive without task labels, requiring the system to automatically select the most appropriate adapter from a growing and heterogeneous adapter pool. Existing routing methods either depend on access to adapter internals, such as weight decompositions or gradient-based statistics, or require additional router training, which limits scalability and portability as new adapters are added. We introduce ARIADNE, a training-free, adapter-agnostic routing framework for dynamic adapter selection at inference time. ARIADNE represents each adapter through a set of centroids computed from embeddings of its training set, capturing the data distribution associated with that adapter. Given an unlabeled input, it selects an adapter by measuring proximity to these centroids in latent space. Because routing is performed entirely in the input embedding space, ARIADNE is compatible with arbitrary PEFT methods and requires no modification to the adapters or training procedures. Primarily evaluated with Llama 3.2 1B Instruct on 23 diverse NLP tasks, ARIADNE recovers 97.44% of the upper bound performance. Scaling to 44 tasks, it achieves 89.7% average selection accuracy, without additional training or access to adapter internals.

02.
medRxiv (Medicine) 2026-06-16

Deployment-readiness audit of calibration, clinical utility, and fairness in perioperative infection prediction

Objective: Clinical risk scores intended to guide patient-level decisions can show strong average performance. However, predicted probabilities can be systematically too high or too low in specific subgroups even when overall performance is strong. We audited deployment readiness of a strong end-of-surgery postoperative infection model across clinically relevant subgroups and tested mitigation strategies in miscalibrated subgroups. Materials and Methods: We analyzed out-of-fold predictions for 10,719 surgical procedures at a Swiss tertiary hospital, with 504 postoperative bacterial infection events. Prespecified axes were recorded sex, age stratum, and an EHR-derived physiological-reserve proxy. Within subgroups and pairwise intersections, we evaluated discrimination, calibration, threshold-specific errors, and decision-curve net benefit at the prespecified operating threshold. We compared group-specific isotonic recalibration with Wasserstein-barycenter postprocessing and demonstrated portability in SUPPORT2. Results: Overall AUROC was 0.876. While sex-marginal discrimination was similar in women and men (0.878 vs 0.875), age and reserve stratification revealed deployment-readiness failures. Calibration-in-the-large ranged from -0.86 in frail patients to -2.47 in non-frail patients. At the 0.10 operating threshold, decision-curve net benefit was positive in frail patients but negative in pre-frail and non-frail patients. Isotonic recalibration corrected average physiological-reserve-stratified calibration without worsening Brier scores, whereas Wasserstein postprocessing worsened calibration in most procedure clusters. Discussion: Discrimination-only or sex-marginal evaluation would have missed subgroup failures with clinical-utility implications. Conclusion: Subgroup fairness audits for clinical deployment should jointly evaluate discrimination, calibration, and utility. We implemented the audit as the open-source isitfair framework for identifying deployment-relevant subgroup failures, comparing mitigation strategies, and generating structured reports.

03.
arXiv (quant-ph) 2026-06-19

Ricci flow for the Bures–Helstrom qubit metric

arXiv:2606.19493v1 Announce Type: cross Abstract: The Bures–Helstrom metric is the minimal monotone Riemannian metric on the state space of a qubit. With the quantum Fisher normalization used here, it identifies the Bloch ball with a geodesic hemisphere of the unit round three–sphere. We describe its Ricci flow explicitly. In a general rotationally symmetric gauge the flow is a coupled system for the radial lapse and warping factor; a single scalar equation appears only after a Hamilton–DeTurck gauge choice. In the corresponding moving DeTurck frame the squared warping function $\Psi=\Phi^2$ satisfies the linear forced heat equation \begin{equation*} D_t\Psi=\Psi_{ss}-2, \end{equation*} while the fixed-lapse coordinate form contains the associated transport term. Since the Bures–Helstrom metric is Einstein, the geometric flow itself is the homothetic shrinker \begin{equation*} g(t)=(1-4t)g_{\mathrm{BH}}, \end{equation*} with scalar curvature $6/(1-4t)$ and extinction time $T=1/4$. Thus the metric remains inside the monotone cone for all $t

04.
arXiv (CS.AI) 2026-06-19

Beyond Static Endpoints: Tool Programs as an Interface for Flexible Agentic Web Services

arXiv:2606.19992v1 Announce Type: cross Abstract: In the agentic web era, LLM-based agents increasingly invoke web services as tools, yet most interfaces remain static endpoints that poorly express long-horizon workflows with loops, conditionals, joins, and retries. We present ToolPro, which represents an agent's tool intent as an executable tool program that compactly encodes multi-step service interactions with explicit effect types. ToolPro combines constraint-guided program construction, effect-aware replay for exactly-once state-modifying calls, and a profile-driven policy that decides when program execution outperforms stepwise calling. We instantiate ToolPro over MCP-style services with WebAssembly sandboxing and evaluate it on diverse workflows of real-world applications. ToolPro reduces end-to-end latency by up to 53.4\% and client-side traffic by up to 96.1\%, with larger gains under higher network latency and workflow complexity.

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

Connecting Speech to Words through Images

How can we learn the mapping between written words and their spoken counterparts in the absence of explicit textual supervision? We present a visually grounded method for building a vocabulary of spoken words using only images and their spoken descriptions. First, image captioning systems are used to build a vocabulary of written words representing salient visual concepts in the images. For each word, we then find utterances whose image captions contain that word. Then we use an unsupervised word discovery technique to align these utterances to locate instances of the target word. The result is spoken word segments that are linked to written words – all accomplished without any text supervision. In spoken word retrieval and keyword spotting experiments, the proposed approach outperforms a strong neural baseline while being more interpretable. These results demonstrate the feasibility of the approach in English and motivate future work on low-resource languages without transcripts.

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

Distributionally Robust Set Representation Learning Under Inference-Time Element Corruption

arXiv:2605.30089v2 Announce Type: replace Abstract: Standard Set Representation Learning methods typically excel on curated data but often overlook the challenge of inference-time element corruption. This refers to scenarios where deployed models encounter element-level degradations, such as outliers or missing components, that may distort set representation and degrade performance. We propose SW-DRSO, a distributionally robust optimization framework tailored for sets. Rather than minimizing loss solely on observed training data, SW-DRSO optimizes a tractable surrogate of the worst-case expected loss over a family of plausible inference-time variations. We introduce a barycentric adversary that approximates the intractable search over corrupted sets by a differentiable training-time optimization over simplex weights. Extensive experiments across four tasks demonstrate that SW-DRSO effectively enhances robustness against corruption while maintaining high overall performance.

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

Haiku to Opus in Just 10 bits: LLMs Unlock Large Compression Gains

arXiv:2604.02343v2 Announce Type: replace-cross Abstract: We study the compression of LLM-generated text across lossless and lossy regimes, characterizing a compression-compute frontier where more compression is possible at the cost of more compute. For lossless compression, domain-adapted LoRA adapters can improve LLM-based arithmetic coding by 2x over compression with the base LLM alone. For lossy compression, prompting a model for a succinct rewrite then applying arithmetic coding can achieve compression ratios of approximately 0.03, a 2x improvement over compressing the original response. We further introduce Question-Asking compression (QA), an interactive lossy protocol inspired by the game 'Twenty Questions'. A small model iteratively refines its response by asking yes/no questions to a stronger model, transferring exactly one bit per answer. On 8 benchmarks spanning math, science, and code, 10 binary questions recover 23% to 72% of the capability gap between a small and large model on standard benchmarks and 7% to 38% on harder benchmarks, achieving compression ratios of 0.0006 to 0.004. This is over 100x smaller than prior LLM-based compression (Deletang et al., 2024), suggesting that interactive protocols can transfer knowledge far more efficiently than transmitting full responses.

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

Beyond representational alignment with brain-guided language models for robust reasoning

The correspondence between large language models (LLMs) and the neural mechanisms underlying human higher-order cognition remains insufficiently characterized. Given that language and reasoning in the human brain appear dissociable, an open question is whether LLMs align with neural signals from reasoning-related regions and whether such signals can improve them. Here, focusing on deductive reasoning, we show that LLM internal representations are not only partially aligned with task-fMRI activity but can also be directly enhanced by these signals. Using a neural-predictivity metric, we find that LLMs explain a substantial fraction of the explainable variance in reasoning-related regions at the aggregate level, whereas predictivity within specific reasoning types is lower, indicating both alignment and divergence. Building on this, we propose a brain-guided framework: we steer model representations along directions induced by the joint structure of model and brain representations, applying intervention at inference and fine-tuning during training. We demonstrate that task-evoked brain signals can directly enhance LLM reasoning, yielding gains orthogonal to language-only supervision across 10 LLMs (1.5B-72B), with transfer across reasoning types and up to 13\% absolute accuracy gain. Our results advance LLM-brain correspondences from correlation to guidance, establishing a brain-signal-driven pathway toward more robust and cognitively aligned AI.

09.
arXiv (CS.CV) 2026-06-12

CRAG: Can 3D Generative Models Help 3D Assembly?

Most existing 3D assembly methods treat the problem as pure pose estimation, rearranging observed parts via rigid transformations. In contrast, human assembly naturally couples structural reasoning with holistic shape inference. Inspired by this intuition, we reformulate 3D assembly as a joint problem of assembly and generation. We show that these two processes are mutually reinforcing: assembly provides part-level structural priors for generation, while generation injects holistic shape context that resolves ambiguities in assembly. Unlike prior methods that cannot synthesize missing geometry, we propose CRAG, which simultaneously generates plausible complete shapes and predicts poses for input parts. Extensive experiments demonstrate state-of-the-art performance across in-the-wild objects with diverse geometries, varying part counts, and missing pieces. Project Page: https://ai4ce.github.io/CRAG/

10.
arXiv (math.PR) 2026-06-15

Uniform-in-time error estimates for McKean-Vlasov SDEs with common noise and stochastic algorithms

arXiv:2606.14170v1 Announce Type: new Abstract: In this work, by construct an asymptotic coupling by reflection, we first explore the uniform-in-time estimate on probability distance for two measure-valued processes induced by a McKean-Vlasov SDE with common noise and an interacting particle system, where the drift terms are dissipative merely in the long distance. As direct applications of this estimate, we establish the uniform-in-time error estimates for the numerical solutions derived via backward/tamed/adaptive Euler-Maruyama methods. Moreover, as another direct application, the uniform-in-time conditional propagation of chaos is quantified.

11.
arXiv (CS.AI) 2026-06-17

Towards Distributed Inference of LLMs on a P2P Network

arXiv:2606.17059v1 Announce Type: cross Abstract: Prefix caching can reduce LLM inference latency by reusing KV caches across requests with shared prompts, but cluster-scale reuse is challenging because caches are partitioned across nodes. We propose a decentralized, prefix-cache-aware routing scheme for peer-to-peer LLM serving. Each node maintains a local radix tree of its own cached prefixes and asynchronously refreshed estimates of peer caches using periodic anti-entropy. Requests are routed to the node with the longest estimated prefix match, without centralized coordination or KV-cache transfer. Stale metadata only causes cache misses, not incorrect outputs, making weak consistency sufficient for correctness. Evaluation on simulated MMLU workloads show that decentralized routing improves latency under low communication delay and skewed prefix distributions, while high network latency and affinity-induced hotspots limit its benefits.

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

Low-Burden LLM-Based Preference Learning: Personalizing Assistive Robots from Natural Language Feedback for Users with Paralysis

arXiv:2604.01463v2 Announce Type: replace-cross Abstract: Physically Assistive Robots require personalized behaviors to ensure user safety and comfort. However, traditional preference learning methods, like exhaustive pairwise comparisons, cause substantial physical and cognitive fatigue for users with severe motor impairments. To solve this, we propose a low-burden, offline framework that translates unstructured natural language feedback directly into deterministic robotic control policies. To safely bridge the gap between ambiguous human speech and robotic code, our pipeline uses Large Language Models (LLMs) grounded in the Occupational Therapy Practice Framework. This clinical reasoning decodes subjective user reactions into explicit physical and psychological needs, which are then mapped into transparent decision trees. Before deployment, an automated "LLM-as-a-Judge" verifies the code's structural safety. We validated this system in a simulated meal preparation study with 10 adults with paralysis. Results show our natural language approach significantly reduces user workload compared to traditional baselines. Additionally, occupational therapists confirmed the generated policies are safe and accurately reflect user preferences.

13.
arXiv (CS.CL) 2026-06-16

An Empirical Study on Learning Latent Representations for Emotional Speech Synthesis

For the last couple of years, the field of speech synthesis has improved dramatically thanks to deep learning. There are more and more deep learning-based TTS systems developed to make it possible to produce voices with high intelligibility and naturalness. Meanwhile, controlling the expressiveness is yet a big deal, generating speech in different styles or manners has received a lot of attention from community recently. This paper aims to give our solutions to deal with the task emotional speech synthesis (ESS) at VLSP 2022 which allows to generate humanlike natural-sounding voice from a given input text with desired emotional expression. By integrating speaker embedding, prosody bottleneck into FastSpeech 2, our systems can promisingly generate emotional speech of a single speaker (Sub-task 1), transfer speaking styles from another speaker to the target speaker with neutral non-expressive data while retaining the target speaker's identity (Sub-task 2).

14.
arXiv (CS.LG) 2026-06-12

Forecasting Is Not Attribution: Localizing Decoder Bypass in Graph-Based Neural Marketing Mix Models

arXiv:2606.12687v1 Announce Type: new Abstract: Marketing mix models are used to forecast business outcomes and to attribute those outcomes to marketing channels, but these goals are not equivalent. We study a failure mode in graph-based neural MMM called attribution bypass: a high-capacity decoder can obtain low forecasting error through target autoregression, dense communication, co-movement, context, or latent memory while failing to route counterfactual sensitivity through the graph used as the attribution object. We introduce DICE-MMM as a bounded diagnostic and training framework. We do not claim that observational neural MMM identifies causal effects. Instead, DICE separates three questions often conflated in graph-based MMM: graph recovery, forecasting accuracy, and whether the trained decoder's perturbation-induced influence is graph aligned. Stage 1 trains a graph encoder with a restricted graph-mediated decoder. Stage 2 freezes the selected encoder and trains a graph-safe latent decoder whose cross-node communication must pass through the supplied graph. Decoder use is evaluated with CIG, AR-CIG, and graph-swap tests. Across controlled R/d/T swaps and an external multi-graph rawlog stress test, DICE improves stable graph recovery over CausalMMM. The experiments show that forecasting accuracy is not an attribution certificate: in a sparse-target benchmark, no-graph and full-graph decoders achieve MSE@7 around 0.004 while AR-CIG nAUPRC remains near or below zero, whereas an oracle graph reaches 0.807 +/- 0.129 at comparable MSE. Frozen graph-swap localizes the bottleneck: the same DICE-hard-trained decoder moves from nAUPRC -0.044 +/- 0.006 under learned graph inputs to 0.894 +/- 0.027 with the oracle graph. The contribution is a stress test and failure-localization framework showing that low MSE can hide attribution bypass and that the unresolved bottleneck is graph-support selection, not forecasting or decoder capacity.

15.
arXiv (CS.CL) 2026-06-16

Beyond Retrieval: Learning Compact User Representations for Scalable LLM Personalization

Personalizing large language models requires adapting model behavior to individual users while preserving robustness and deployment-scale efficiency. Existing approaches typically personalize LLMs either at the input level, by retrieving user histories or constructing profile prompts, or at the parameter level, by maintaining user-specific parameter-efficient modules. The former makes personalization sensitive to retrieval quality and prompt design, whereas the latter incurs storage and maintenance costs that grow with the user population. To address these limitations, we propose TAP-PER (Temporal Attentive Prefix for PERsonalization), a prefix-based framework that encodes user preferences as learnable representations, eliminating explicit prompt construction and replacing heavy per-user adapters with lightweight user-state prefix embeddings. Inspired by personalized recommendation systems, TAP-PER decomposes user modeling into user-state and query-conditioned components, and incorporates temporal signals to capture the evolving nature of user interests. Experiments on six LaMP tasks show that TAP-PER consistently outperforms prompt-based and model-based baselines across classification, rating, and generation settings. Moreover, TAP-PER uses 130x fewer per-user parameters than OPPU and roughly half the total parameter footprint of PER-PCS at the 1,000-user scale, demonstrating that scalable LLM personalization can be achieved without explicit prompt construction or heavy per-user adapters.

16.
bioRxiv (Bioinfo) 2026-06-16

scIsoAgent enables autonomous isoform-resolved characterization and sequence-informed interpretation of long-read single-cell transcriptomes

Alternative isoform usage can alter gene function independently of total gene expression, creating a need to resolve transcript isoforms at single-cell resolution. Long-read single-cell RNA sequencing meets this need by linking cellular identity to transcript isoforms and sequence-level features. Realizing its full biological value requires reproducible workflows that connect specialized long-read analysis with biological interpretation. Existing large language model (LLM)-based biomedical agents support general omics analysis, but are not designed for isoform-resolved long-read single-cell workflows. Here, we present scIsoAgent, an autonomous LLM-powered scientific agent for long-read single-cell RNA-seq analysis. scIsoAgent turns heterogeneous long-read single-cell inputs into traceable isoform-resolved workflows, using stage-aware planning and persistent computational context to support both execution and interpretation. Across complementary evaluations, this design improved the continuity from analysis planning to executable, interactive workflows compared with general-purpose LLM baselines. In real-data reanalysis, scIsoAgent recovered major findings from published long-read single-cell resources and extended a representative differential transcript usage event into a sequence-informed functional hypothesis. By linking full-length isoform sequences with model-inferred transcript properties, scIsoAgent connects observed isoform usage with potential sequence-level functional consequences. These results demonstrate that autonomous scientific agents can transform fragmented long-read single-cell analysis into coherent, reproducible workflows for isoform-resolved discovery and biological interpretation.

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

Dimensionality Controls When Modularity Helps in Continual Learning

arXiv:2606.17889v1 Announce Type: cross Abstract: Compositional learning systems must balance plasticity, the ability to acquire new knowledge, with stability, the preservation of previously learned components, especially when tasks share structure and risk interference. We study how modular architecture, task similarity, and representational dimensionality jointly shape compositional continual learning in a sequential A-B-A paradigm, comparing a task-partitioned recurrent network to a single-network baseline while inducing high- and low-dimensional regimes via weight-scale manipulations. In a high-dimensional "lazy" regime, both architectures achieve similar performance and internal geometry, suggesting that explicit modular structure has little impact when representations are weakly constrained. In a lower-dimensional "rich" regime, modularity becomes decisive: the modular network develops graded task-specific subspaces that overlap for similar tasks, partially align for moderately dissimilar tasks, and separate for dissimilar tasks, yielding a more compositional and interpretable organization than the single network. These findings identify the representational regime induced by initialization scale, which co-varies with representational dimensionality, as a key factor governing when compositional, modular structure is functionally beneficial in continual learning, and support viewing safety and robustness as problems of adaptive allocation of representational subspaces rather than fixed separation versus sharing.

18.
Nature (Science) 2026-06-17

Rock weathering can counteract river CO<sub>2</sub> emissions induced by permafrost thaw

作者:

Climate-induced permafrost thaw unlocks large stores of organic carbon that are mineralized and emitted as carbon dioxide (CO2) from rivers to the atmosphere1. Concurrently, warming and permafrost thaw can increase mineral weathering rates, thus affecting the release and sequestration of inorganic carbon2–4. Yet how these biological and geological carbon cycles interact and jointly affect CO2 dynamics (emission compared with drawdown) in permafrost rivers remains unknown5. Here we combine CO2 emissions, organic and inorganic solute concentrations, dual carbon isotopes (δ13C–Δ14C) and geochemical modelling to infer how permafrost thaw may affect river biogeochemistry over decades to centuries across the Qinghai–Tibet Plateau. Leveraging a gradient of thermal permafrost degradation, we find that river CO2 emissions decline, whereas solute fluxes from rock weathering increase with decreasing permafrost cover. Across this region, net CO2 drawdown fluxes from rock weathering are about 35% of river CO2 emissions, varying from around 15% in catchments with continuous permafrost to more than 100% in catchments with discontinuous or isolated permafrost. Thus, carbon fluxes from chemical weathering may become increasingly important with ongoing permafrost thaw, potentially even outpacing river CO2 emissions. Our findings disentangle the interplay between biological and geological carbon fluxes that are important for the cryosphere and the global carbon cycle. Permafrost thaw on the Qinghai–Tibet Plateau increases rock-weathering rates while reducing river CO2 emissions, suggesting geological carbon fluxes may eventually outpace thaw-driven emissions.

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

CADO: From Imitation to Cost Minimization for Heatmap-based Solvers in Combinatorial Optimization

arXiv:2602.08210v2 Announce Type: replace Abstract: Heatmap-based solvers have emerged as a promising paradigm for Combinatorial Optimization (CO). However, we argue that the dominant Supervised Learning (SL) training paradigm suffers from a fundamental objective mismatch: minimizing imitation loss (e.g., cross-entropy) does not guarantee solution cost minimization. We dissect this mismatch into two deficiencies: Decoder-Blindness (being oblivious to the non-differentiable decoding process) and Cost-Blindness (prioritizing structural imitation over solution quality). We empirically demonstrate that these intrinsic flaws impose a hard performance ceiling. To overcome this limitation, we propose CADO (Cost-Aware Diffusion models for Optimization), a streamlined Reinforcement Learning fine-tuning framework that formulates the diffusion denoising process as an MDP to directly optimize the post-decoded solution cost. We introduce Label-Centered Reward, which repurposes ground-truth labels as unbiased baselines rather than imitation targets, and Hybrid Fine-Tuning for parameter-efficient adaptation. CADO achieves state-of-the-art performance across diverse benchmarks, validating that objective alignment is essential for unlocking the full potential of heatmap-based solvers.

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

Context-Aware Markov VAE for CSI Compression in Wireless Systems

arXiv:2606.16607v1 Announce Type: cross Abstract: This paper considers neural channel state information (CSI) compression for time-varying massive multiple-input multiple-output (MIMO) channels in frequency division duplex (FDD) systems with limited feedback resources. The main challenge lies in obtaining a compact and efficient representation of the CSI given that it exhibits strong temporal correlation across successive snapshots. Existing memoryless compression models do not exploit this property, while simple temporal extensions often incorporate multiple observations without explicitly modeling the latent dynamics. We propose a context-aware compression framework based on a k-memory Markov variational autoencoder (k-MMVAE), which uses a finite temporal window to capture the evolution of CSI in the latent space. The model introduces Markov-structured latent dynamics with finite memory, enabling efficient use of temporal dependencies for compression. Simulation results show that the proposed approach improves target CSI reconstruction performance compared to memoryless and weakly sequential baselines, particularly at low and moderate compression rates. These results suggest that explicit latent temporal modeling can provide an effective mechanism for CSI compression under limited feedback constraints.

21.
bioRxiv (Bioinfo) 2026-06-18

Benchmarking gene expression reconstruction from single-cell latent representations

Single-cell transcriptomics is typically modeled in low-dimensional latent representations that improve the signal-to-noise ratio of the data. Such representations underpin data integration, cell state discovery, and perturbation prediction, with applications ranging from large-scale organ atlases to latent trajectory modeling. Recent virtual cell approaches further leverage these representations to predict cellular responses as distributional shifts in latent space. Each of these applications ultimately requires faithful gene expression reconstruction from latent spaces for biological interpretation, enabling gene-level analysis of predicted perturbed or batch-corrected cells. Yet representation choice is typically treated as an implementation detail rather than a primary modeling decision, with no systematic evaluation of how well latent representations support gene expression reconstruction. Here, we introduce ReconEval, a benchmark for evaluating gene expression reconstruction from single-cell latent spaces. We benchmark two classes of latent representations: end-to-end trained models such as PCA, autoencoders, and variational autoencoders, and pretrained single-cell foundation model embeddings coupled to newly trained decoders. Reconstruction is evaluated both directly and after latent-space perturbation prediction. Across perturbational and observational datasets totaling over 100 million cells, our metric suite quantifies statistical fidelity; biological signal preservation, including differential expression, coexpression, cell-cycle structure, cytokine response and pathway activity; and perturbation-specific effects. We find that autoencoders achieve the strongest stand-alone reconstruction at low dimensionality, while variational regularization does not improve generalization in reconstruction. Frozen foundation model embeddings retain recoverable gene-level information, with reconstruction quality depending strongly on decoder architecture and pretraining objective. In latent perturbation modeling, high-dimensional PCA matches foundation model embeddings, while low-dimensional AE embeddings are optimal for flow-based generative models. Overall, reconstruction depends critically on the interplay between representation and downstream model, and simpler representations can outperform complex alternatives given appropriate capacity. Our benchmark establishes reconstruction as a critical evaluation axis for single-cell foundation models. We envision it improving the biological interpretability of latent-space modeling, a prerequisite for future virtual cell models to be validated by domain experts and grounded in biology.

22.
arXiv (CS.AI) 2026-06-16

Sustainable Materials Discovery in the Era of Artificial Intelligence

arXiv:2601.21527v3 Announce Type: replace-cross Abstract: Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current generative AI models for materials discovery, which now drive exploration of vast chemical and structural spaces, optimize candidates exclusively for structural stability and functional properties, with no integration of environmental assessment at any stage of the design loop. Prospective and ex-ante life cycle assessment methods exist and have been applied to emerging technologies, but they operate as standalone downstream analyses, not as active constraints within generative or active-learning pipelines. The result is that environmental feedback, even when produced, arrives after design decisions have been made rather than informing them. The disconnect between atomic-scale design and lifecycle assessment (LCA) reflects fundamental challenges: (i) data scarcity across heterogeneous sources, (ii) scale gaps from atoms to industrial systems, (iii) uncertainty in synthesis pathways, and (iv) the absence of frameworks that co-optimize performance with environmental impact. In this Perspective, we propose integrating upstream ML-assisted materials discovery with downstream LCA into the ML-LCA framework, comprising five components: information extraction for building materials-environment knowledge bases, harmonized databases linking properties to sustainability metrics, multi-scale models bridging atomic properties to lifecycle impacts, ensemble prediction of manufacturing pathways with uncertainty quantification, and uncertainty-aware optimization enabling simultaneous performance-sustainability navigation. Case studies spanning polymers, glass, photoresists, and cement demonstrate both necessity and feasibility while identifying material-specific integration challenges.

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

Physics-Informed Neural Networks and Radial Basis Functions for PDEs with Dirac Delta Sources

arXiv:2606.12735v1 Announce Type: new Abstract: Physics-Informed Neural Networks (PINNs) are a machine learning method for solving forward and inverse Partial Differential Equations (PDEs). When applied to PDEs with Dirac delta functions in the forcing terms, boundary conditions, or initial conditions, PINNs require approximating them with smooth surrogate functions, a practice that can introduce significant modeling errors. In this work, we exploit the interpretation of PINNs as Residual Least Squares (RLS) methods and show that this perspective enables direct treatment of Dirac delta terms by integrating the weak-form equation. Among RLS formulations other than PINN, we focus on the Radial Basis Function (RBF) expansion (also known as a single-layer RBF Network). We show that while integrating out the Dirac delta in PINNs causes residuals to fail to converge to zero, RBF-RLS consistently provides good forward and inverse solutions to transport problems. We explain this finding using the Neural Tangent Kernel (NTK) theory. We test both approaches on linear PDEs that represent groundwater flow and transport in porous media and rivers. We solve inverse problems to fit synthetic data, noisy synthetic data, and real-world measurements.

24.
arXiv (math.PR) 2026-06-18

Random Schrödinger operators on manifolds and abstract bounds for multiplier-type operators

arXiv:2606.19075v1 Announce Type: cross Abstract: We study random Schrödinger operators on closed Riemannian manifolds with Anderson-type potentials. We prove high-probability spectral inclusion bounds showing that eigenvalues remain close to those of the Laplacian, with deviations controlled by a norm of the potential coefficients. Compared with deterministic bounds, this yields a square-root cancellation gain. The proof is based on a general principle showing that randomisation improves operator norm bounds for multiplier-type operators, which we formulate in both discrete and continuous settings.

25.
arXiv (CS.LG) 2026-06-15

Towards Efficient Large Language Reasoning Models via Extreme-Ratio Chain-of-Thought Compression

arXiv:2602.08324v5 Announce Type: replace Abstract: Chain-of-Thought (CoT) reasoning successfully enhances the reasoning capabilities of Large Language Models (LLMs), yet it incurs substantial computational overhead for inference. Existing CoT compression methods often suffer from a critical loss of logical fidelity at high compression ratios, resulting in significant performance degradation. To achieve high-fidelity, fast reasoning, we propose a novel EXTreme-RAtio Chain-of-Thought Compression framework, termed Extra-CoT, which aggressively reduces the token budget while preserving answer accuracy. To generate reliable, high-fidelity supervision, we first train a dedicated semantically-preserved compressor on mathematical CoT data with fine-grained annotations. An LLM is then fine-tuned on these compressed pairs via a mixed-ratio supervised fine-tuning (SFT), teaching it to follow a spectrum of compression budgets and providing a stable initialization for reinforcement learning (RL). We further propose Constrained and Hierarchical Ratio Policy Optimization (CHRPO) to explicitly incentivize question-solving ability under lower budgets by a hierarchical reward. Experiments on three mathematical reasoning benchmarks show the superiority of Extra-CoT. For example, on MATH-500 using Qwen3-1.7B, Extra-CoT achieves over 73\% token reduction with an accuracy improvement of 0.6\%, significantly outperforming state-of-the-art (SOTA) methods. Our source codes have been released at https://github.com/Mwie1024/Extra-CoT.