Papers

SignSGD compresses each stochastic gradient coordinate to a single bit, offering substantial memory and communication savings, but its 1-bit quantization removes magnitude information and is known to leave a generalization gap relative to well-tuned SGD. We revisit SignSGD from a 1-bit quantization and dithering perspective and contribute three improvements. First, we derive a small-batch convergence rate for SignSGD under unimodal symmetric gradient noise using a signal-to-noise weighted stationarity measure, removing the large-batch assumption of prior analyses. Second, we inject annealed Gaussian noise before the sign operator, which acts as a classical dithering mechanism and probabilistically restores magnitude information lost to hard thresholding. Third, we adapt the SWATS strategy to sign-based updates with a projection-based learning-rate calibration that smoothly transitions from SignSGD to SGD. Single-worker experiments on ResNet-18 isolate optimizer effects from communication aspects: pre-sign dithering surpasses Adam on CIFAR-100, and the calibrated switch reaches 92.18% test accuracy on CIFAR-10, outperforming both pure SGD 91.38% and pure SignSGD with momentum 90.82%.

Safety is a key problem in reinforcement learning, especially during exploration. While safety filters are promising to address this issue, they are ill-suited for high- dimensional systems with unknown dynamics. We propose Dyna-style Safety Augmented Reinforcement Learning (Dyna-SAuR), a novel algorithm that learns a control policy as well as a safety filter requiring minimal domain knowledge by leveraging a learned uncertainty-aware dynamics model. A novel filter learning formulation requires the filter to avoid failures and areas of high model uncertainty. As joint deployment of the control policy and filter allows to safely collect data and improve the dynamics model, certain areas grow and filter conservatism decreases over time. Dyna-SAuR reduces failures compared to established safe RL baselines by two orders of magnitude on goal-reaching CartPole and MuJoCo Walker.

Time series classification is an important analytical task across diverse domains. However, its practical application is often hindered by the scarcity of labeled data and the requirement for substantial computational resources. To address these challenges, this paper proposes EvoTSC, a novel genetic programming approach designed to automatically evolve lightweight feature learning models for time series classification. The core of EvoTSC is a carefully designed multi-layer program structure that strategically embeds diverse forms of prior expert knowledge into the evolutionary process, effectively guiding the search toward operations known to be highly effective for time series analysis. To mitigate the common overfitting problem in time series classification, a tailored Pareto tournament selection strategy is proposed to favor models that perform consistently well across varying training data subsets, promoting the discovery of highly generalizable models. Extensive experiments conducted on univariate time series classification datasets demonstrate that EvoTSC significantly outperforms eleven benchmark methods in most comparisons. Further analyses verify the contribution of each component and the resource efficiency of the evolved models.

Coherent transition radiation (CTR) spectroscopy is a critical diagnostic for characterizing the longitudinal structure of relativistic electron bunches in laser-plasma and conventional accelerators. In practice, recovering the bunch profile from a measured CTR spectrum is an ill-posed phase-retrieval problem. Traditionally, this is addressed using Gerchberg-Saxton (GS)-type iterative algorithms. However, these implementations often rely on explicit inverse propagators, making them difficult to adapt to sophisticated experimental forward models. In this work, we introduce a flexible gradient-based framework for CTR phase retrieval. By leveraging a differentiable forward model, we propose a phase-only gradient descent (GD-Phase) approach that enforces the measured spectral amplitude as a hard constraint while optimizing the Fourier phase under physical real-space priors. Using synthetic CTR spectra spanning multi-peaked and strongly modulated profiles, we benchmark GD-Phase against traditional GS and a real-space amplitude-parametrized gradient descent (GD-Amp) algorithm. Unlike traditional methods, this formulation allows for the seamless inclusion of arbitrary differentiable experimental effects into the reconstruction loop. We demonstrate that this physics-informed approach not only reproduces the fidelity of GS methods but also establishes a robust baseline for incorporating multi-diagnostic constraints and uncertainty quantification. This enables the systematic extension to higher-dimensional, multimodal, and uncertainty-aware diagnostics, facilitating fast and scalable phase retrieval in realistic experimental settings.

We introduce a Hopfield-type associative memory in which effective connectivity is multiplicatively modulated by astrocytic gains evolving under an entropy-regularized replicator equation. The coupled neuron-astrocyte dynamics admit a Lyapunov function, ensuring global convergence. At fixed points, astrocytic gains implement a softmax-normalized allocation over pattern similarity scores, yielding a mechanistic realization of self-attention as emergent routing on the gain simplex. In regimes of high memory load and interference, the model significantly improves retrieval accuracy relative to classical Hopfield dynamics and recent neuron-astrocyte baselines. These results establish a dynamical systems framework linking glial modulation, competitive resource allocation, and attention-like computation.

Federated learning increasingly operates in a large-model regime where communication, memory, and computation are all scarce. Typically, non-IID client data induce drift that degrades the stability and performance of local training. Existing remedies such as SCAFFOLD introduce heterogeneity-correction mechanisms to address this challenge, but they incur substantial extra communication and memory overhead. This paper proposes a subspace optimization method for federated learning (SSF), which performs heterogeneity-corrected optimization in a low-dimensional subspace using only projected quantities, while preserving full-dimensional control information through a backfill-style update that retains residual components whenever the active subspace changes. Under standard smoothness and bounded-variance assumptions, SSF attains a non-asymptotic rate of order $\widetilde{\mathcal{O}}(1/T+1/\sqrt{NKT})$. Experiments show favorable accuracy–efficiency trade-offs under heterogeneous data.

Federated fine-tuning provides a practical route to adapt large language models (LLMs) on edge devices without centralizing private data. However, in mobile deployments, the training wall-clock is often dominated by straggler-limited uplink communication under heterogeneous bandwidth, intermittent participation, and non-IID client data. Although parameter-efficient fine-tuning (PEFT) methods such as LoRA and QLoRA reduce local memory and trainable parameters, repeated transmission of adapter updates remains a major bottleneck. We propose Fed-FSTQ, a semantic-sensitivity-aware communication-control primitive for communication-efficient federated LLM fine-tuning. Fed-FSTQ uses a lightweight token-level Fisher proxy to estimate semantic sensitivity, couples token-guided sparsification with mixed-precision adapter-update quantization, and allocates higher communication fidelity to semantically load-bearing evidence while suppressing redundant transmission. The method is drop-in compatible with standard federated PEFT pipelines and requires no change to the server aggregation rule. Experiments on multilingual QA and medical QA under non-IID partitions show that Fed-FSTQ reduces cumulative uplink traffic required to reach a fixed quality threshold by 46-fold relative to a Fed-LoRA baseline and improves straggler-limited wall-clock time-to-accuracy by 52%. Under the corrected Controlled LTE-20Mbps accounting, Fed-FSTQ reduces per-round time from 414.60s to 67.29s and reduces per-round energy from 839.20J to 146.28J, yielding a 6.16-fold speedup. On NVIDIA Jetson-class edge devices, Fisher-guided token reduction also yields up to a 1.55-fold inference speedup, demonstrating deployability under tight resource constraints.

Model-based reinforcement learning distinguishes between dynamics models operating on proprioceptive states and latent dynamics models typically operating on high-dimensional image observations. Among the latter, Dreamer's Recurrent State Space Model (RSSM) has emerged as a dominant architecture. While ensemble-based epistemic uncertainty has proven effective in proprioceptive dynamics for mitigating model exploitation, guiding exploration, or promoting caution, its behavior in latent dynamics remains largely unexplored. Our experiments reveal that although ensemble disagreement captures local epistemic uncertainty, it does not reliably reflect global compounding model error accumulated over prolonged RSSM latent rollouts. We provide evidence for an attractor behavior that draws rollouts toward well-supported latent regions, where uncertainty diminishes despite increasing discrepancies from the true environment dynamics. This can cause the model to overestimate returns when attractor regions correspond to high-reward behaviors. Our findings reveal a structural limitation of epistemic uncertainty estimation in RSSMs and challenge the assumption that epistemic uncertainty estimation transfers directly from proprioceptive to latent dynamics.

Ensuring safety during reinforcement learning (RL) training is critical in real-world applications where unsafe exploration can lead to devastating outcomes. While most safe RL methods mitigate risk through constraints or penalization, they still allow exploration of unsafe states during training. In this work, we adopt a stricter safety requirement that eliminates unsafe state visitation during training. To achieve this goal, we propose a Q-learning-based safe RL framework that leverages a behavior policy supported on a safe set. Under the assumption that the induced trajectories remain within the safe set, this policy enables sufficient exploration within the safe region without requiring near-optimality. We adopt a two-stage framework in which the Q-function and policy are trained separately. Specifically, we introduce a KL-regularized Bellman target that constrains the Q-function to remain close to the behavior policy. We then derive the policy induced from the trained Q-values and propose a parametric policy extraction method to approximate the optimal policy. Our approach provides a unified framework that can be adapted to different action spaces and types of behavior policies. Experimental results demonstrate that the proposed method achieves stable learning and well-calibrated value estimates and yields safer behavior with comparable or better performance than existing baselines.

While it is generally understood that zeroth-order (ZO) algorithms have an extra dependency on their number of iterations for any choice of parameters, compared to their first-order (FO) counterparts, in this work, we show that under several conditions, in expectation, ZO methods do not suffer from extra dimension dependencies in their convergence rates with respect to their FO counterparts. We look at optimisation algorithms from the dynamical systems perspective and analyse the conditions under which one can formulate the average of a ZO algorithm as the average of its FO counterpart with bounded perturbations with values dependent on design parameters. Then, using input-to-state stability properties, we show ZO methods follow the same decay rate as their FO counterparts and converge to a neighbourhood of the fixed point of FO methods, where its radius depends on the bound of the norm of the perturbations, which can be made arbitrarily small. The theoretical findings are illustrated via numerical examples.

Current research on distributed multi-modal learning typically assumes that clients can access complete information across all modalities, which may not hold in practice. In this paper, we explore patchwork learning, in which the modalities available to different clients vary, and the objective is to impute the missing modalities for each client in an unsupervised manner. Existing methods are shown not to fully utilize the modality information as they tend to rely on only a subset of the observed modalities. To address this issue, we propose GraphPL, which combines graph neural networks with patchwork learning to flexibly integrate all observed modalities and remains robust with noisy inputs. Experimental results show that GraphPL achieves SOTA performance on benchmark datasets. Our results on real-world distributed electronic health record dataset show GraphPL learns strong downstream features and enables tasks like disease prediction via superior modality imputation.

Imbalanced classification remains a pervasive challenge in machine learning, particularly when minority samples are too scarce to provide a robust discriminative boundary. In such extreme scenarios, conventional models often suffer from unstable decision boundaries and a lack of reliable error control. To bridge the gap between generative modeling and discriminative classification, we propose a two-stage framework VAE-Inf that integrates deep representation learning with statistically interpretable hypothesis testing. In the first stage, we adopt a one-class modeling perspective by training a variational autoencoder (VAE) exclusively on majority-class data to capture the underlying reference distribution. The resulting latent posteriors are aggregated via a Wasserstein barycenter to construct a global Gaussian reference model, providing a geometrically principled baseline for the majority class. In the second stage, we transform this generative foundation into a discriminative classifier by fine-tuning the encoder with limited minority samples. This is achieved through a novel distribution-aware loss that enforces probabilistic separation between classes based on variance-normalized projection statistics. For inference, we introduce a projection-based score that admits a natural hypothesis testing interpretation, allowing for a distribution-free calibration procedure. This approach yields exact finite-sample control of the Type-I error (false positive rate) without relying on restrictive parametric assumptions. Extensive experiments on diverse real-world benchmarks demonstrate that our framework achieves competitive performance against other approaches. The codes are available upon request.

FlashAttention improves efficiency through tiling, but its online softmax still relies on floating-point arithmetic for numerical stability, making full quantization difficult. We identify three main obstacles to integer-only FlashAttention: (1) scale explosion during tile-wise accumulation, (2) inefficient shift-based exponential operations on GPUs, and (3) quantization granularity constraints requiring uniform scales for integer comparison. To address these challenges, we propose QFlash, an end-to-end integer FlashAttention design that performs softmax entirely in the integer domain and runs as a single Triton kernel. On seven attention workloads from ViT, DeiT, and Swin models, QFlash achieves up to 6.73$\times$ speedup over I-ViT and up to 8.69$\times$ speedup on Swin, while reducing energy consumption by 18.8% compared to FP16 FlashAttention, without sacrificing Top-1 accuracy on ViT/DeiT and remaining competitive on Swin under per-tensor quantization. Our code is publicly available at https://github.com/EfficientCompLab/qflash.

Tree ensembles provide strong classification performance but usually behave as black-box models. Post-hoc interpretability techniques such as RuleCOSI+ extract a small ruleset that approximates the ensemble, but this simplification can leave the probabilities attached to the extracted rules unreliable. In particular, RuleCOSI+ assigns empirical class probabilities to the extracted rules and repeatedly uses those rule statistics during its greedy combination and simplification procedure. We present RCProb, a probabilistic extension that uses smoothed atomic class-conditional evidence for the expensive search stages and a support-adaptive mixture with an ensemble-informed m-estimate for the final rule probabilities. The method is evaluated on 18 binary and 5 multiclass datasets using random forest (RF) and gradient boosting machine (GBM) ensembles. Relative to RuleCOSI+, the median paired log-loss reduction is 71.9% for RF and 62.5% for GBM, with both differences remaining significant after Holm correction. The number of rules decreases by 38.7% for RF and 38.5% for GBM, while the primary tests do not detect a macro-F1 difference. Confidence-ECE also decreases for both ensembles, with statistical support for RF after correction. A separate controlled experiment with dedicated calibration data shows that native RCProb probabilities are competitive with RuleCOSI+ followed by temperature scaling, although additional post-hoc calibration can still improve RCProb. The results show that probability estimation is an important part of rule extraction and not only a post-processing step.

Continuous causal discovery typically couples representation learning with structural optimization via non-convex acyclicity penalties, which subjects solvers to local optima and restricts scalability in high-dimensional regimes. We propose a decoupled paradigm that shifts the causal discovery bottleneck from non-convex optimization to statistical score estimation. We introduce the Score-Schur Topological Sort (SSTS), an algorithm that extracts topological order directly from unconstrained generative models, bypassing constrained structure optimization. We establish that the causal hierarchy leaves a geometric signature within the score function: iterative graph marginalization is mathematically equivalent to computing the Schur complement of the Score-Jacobian Information Matrix (SJIM) under linear conditions. This translates the acyclicity constraint into an algebraic procedure with a dominant cost of O(d^3) operations. For non-linear systems, we formulate the expectation gap of Schur marginalization and introduce Block-SSTS to compress extraction depth, bounding structural error. Empirically, SSTS allows causal structural analysis on non-linear graphs up to d=1000. At this scale, our framework indicates that once the non-convex optimization bottleneck is mathematically bypassed, the structural fidelity of continuous causal discovery is bounded by the finite-sample estimation variance of the global score geometry. By reducing graph extraction to matrix operations, this work reframes scalable causal discovery from a constrained optimization problem to a statistical estimation challenge.

Practically, training diffusion models typically requires explicit time conditioning to guide the network through the denoising sampling process. Especially in deterministic methods like DDIM, the absence of time conditioning leads to significant performance degradation. However, other deterministic sampling approaches, such as flow matching, can generate high-quality content without this conditioning, raising the question of its necessity. In this work, we revisit the role of time conditioning from a geometric perspective. We analyze the evolution of noisy data distributions under the forward diffusion process and demonstrate that, in high-dimensional spaces, these distributions concentrate on low-dimensional hyper-cylinder-like manifolds embedded within the input space. Successful generation, we argue, stems from the disentanglement of these manifolds in high-dimensional space. Based on this insight, we modify the forward process of DDIM to align the noisy data manifold with the flow-matching approach, proving that DDIM can generate high-quality content without time conditioning, provided the noisy manifold evolves according to the flow-matching method. Additionally, we extend our framework to class-conditioned generation by decoupling classes into distinct time spaces, enabling class-conditioned synthesis with a class-unconditional denoising model. Extensive experiments validate our theoretical analysis and show that high-quality generation is achievable without explicit conditional embeddings.

Smooth functions on graphs have wide applications in manifold and semi-supervised learning. In this work, we study a bandit problem where the payoffs of arms are smooth on a graph. This framework is suitable for solving online learning problems that involve graphs, such as content-based recommendation. In this problem, each item we can recommend is a node of an undirected graph and its expected rating is similar to the one of its neighbors. The goal is to recommend items that have high expected ratings. We aim for the algorithms where the cumulative regret with respect to the optimal policy would not scale poorly with the number of nodes. In particular, we introduce the notion of an effective dimension, which is small in real-world graphs, and propose three algorithms for solving our problem that scale linearly and sublinearly in this dimension. Our experiments on content recommendation problem show that a good estimator of user preferences for thousands of items can be learned from just tens of node evaluations.

We consider adversarial multi-armed bandit problems where the learner is allowed to observe losses of a number of arms beside the arm that it actually chose. We study the case where all non-chosen arms reveal their loss with a fixed but unknown probability $r$, independently of each other and the action of the learner. We propose two algorithms that work for different ranges of $r$. We show that after $T$ rounds in a bandit problem with $N$ arms, the expected regret of our first algorithm is $O(\sqrt{(T /r) \log N })$ whenever $r\ge(\log T)/(2N)$, while our second algorithm achieves a regret of $O(\sqrt{(T/r) \log (N+T)})$ for smaller values of $r$. We also give a quick estimation procedure that decides the range of~$r$. All our bounds are within logarithmic factors of the best achievable performance of any algorithm that is even allowed to know~$r$.

Most work on sequential learning assumes a fixed set of actions that are available all the time. However, in practice, actions can consist of picking subsets of readings from sensors that may break from time to time, road segments that can be blocked or goods that are out of stock. In this paper we study learning algorithms that are able to deal with stochastic availability of such unreliable composite actions. We propose and analyze algorithms based on the Follow-The-Perturbed-Leader prediction method for several learning settings differing in the feedback provided to the learner. Our algorithms rely on a novel loss estimation technique that we call Counting Asleep Times. We deliver regret bounds for our algorithms for the previously studied full information and (semi-)bandit settings, as well as a natural middle point between the two that we call the restricted information setting. A special consequence of our results is a significant improvement of the best known performance guarantees achieved by an efficient algorithm for the sleeping bandit problem with stochastic availability. Finally, we evaluate our algorithms empirically and show their improvement over the known approaches.

Traffic signal control (TSC) plays a central role in reducing congestion and maintaining urban mobility. This dissertation introduces DGLight, a critic-guided reinforcement-learning framework for adapting a pretrained large language model to TSC. DGLight first trains a CoLight-based Deep Q-Network critic to estimate traffic-aware action values from structured intersection states, then uses the frozen critic to score candidate language-model actions and optimize the policy with Group Relative Policy Optimization (GRPO). The resulting controller maps traffic states to interpretable reasoning traces and signal decisions while learning from dense per-state supervision rather than raw cumulative environment rewards. Experiments on TSC benchmarks covering Jinan and Hangzhou show that DGLight is the strongest overall method among the compared LLM-based controllers, remains competitive with strong RL baselines, and transfers well to city datasets not used to fit the critic. Qualitative examples further show that the model's generated reasoning is interpretable and aligned with the chosen signal phase. The project code is available $\href{https://github.com/yyccbb/FYP_LLMTSC}{here}$.

Protein dynamics underlie many biological functions, yet remain difficult to characterize due to the high computational cost of molecular dynamics simulations and the scarcity of dynamic structural data. This survey reviews recent advances in artificial intelligence for protein dynamics from three perspectives: learning from structural ensembles and trajectories, learning from physical energy signals, and learning to accelerate molecular simulations. We summarize representative methods for conformation ensemble generation, trajectory generation, Boltzmann generators, physics-aware adaptation, machine learning potentials, coarse-grained modeling, and collective variable discovery. We further discuss available datasets and key open challenges, such as scalability, thermodynamic consistency, kinetic fidelity, and integration with experimental constraints.

Categorical structural optimization under aleatoric uncertainty is challenging because each design variable must be selected from a finite catalog of admissible instances, while each candidate design may require expensive stochastic finite-element evaluations. Existing latent-space optimization strategies can reduce the dimensionality of catalog attributes, but they often treat the reduced space as a continuous search domain. The resulting continuous optimum must then be rounded off to a nearby catalog instance, which may alter the objective value, constraint status, or physical interpretation of the design. To address this issue, this paper proposes the Categorical Optimization with Bayesian Anchored Latent Trust Regions (COBALT) framework for high-dimensional categorical Optimization Under Uncertainty. COBALT first embeds the physical catalog into a low-dimensional latent representation and locks the mapped instances as a discrete anchored graph. A data-independent random tree decomposition is then used to provide bounded-complexity additive modeling over high-dimensional categorical variables. On this anchored domain, an additive SAAS-GP surrogate is fitted to heteroscedastic MC-FEA observations, and a trust-region discrete graph acquisition search selects the next admissible catalog configuration without continuous relaxation or rounding-off. The proposed strategy is applied to robust design optimization of complex bar structures, considering structural weight, strain energy, and local buckling performance. By evaluating only valid catalog designs through the MC-FEA oracle, COBALT preserves physical admissibility throughout the active learning loop and improves the efficiency of robust categorical structural optimization.

Vision-language models (VLMs) are increasingly used as automated judges for multimodal systems, yet their scores provide no indication of reliability. We study this problem through conformal prediction, a distribution-free framework that converts a judge's point score into a calibrated prediction interval using only score-token log-probabilities, with no retraining. We present the first systematic analysis of conformal prediction for VLM-as-a-Judge across 3 judges and 14 visual task categories. Our results show that evaluation uncertainty is strongly task-dependent: intervals cover ~40% of the score range for aesthetics and natural images but expand to ~70% for chart and mathematical reasoning, yielding a quantitative reliability map for multimodal evaluation. We further identify a failure mode not captured by standard evaluation metrics, ranking-scoring decoupling, where judges achieve high ranking correlation while producing wide, uninformative intervals, correctly ordering responses but failing to assign reliable absolute scores. Finally, we show that interval width is driven primarily by task difficulty and annotation quality, i.e., the same judge and method yield 4.5x narrower intervals on a clean, multi-annotator captioning benchmark. Code: https://github.com/divake/VLM-Judge-Uncertainty

Dimensionality reduction methods such as UMAP and t-SNE are central tools for visualising high-dimensional data, but their local-neighborhood objectives can preserve sampling noise while distorting global topology. We show that standard local metrics reward this noise memorisation: top-performing embeddings invent cycles and disconnected islands absent from the data. We introduce a topology-faithfulness benchmark based on noisy manifolds with known homology, tune DiRe against it, and find Pareto-optimal configurations that match or beat GPU-accelerated UMAP on classification while recovering exact first Betti numbers on stress tests. On 723K arXiv paper embeddings, DiRe preserves 3-4 times more topological structure than UMAP at comparable wall-clock.

Deploying guardrails for custom policies remains challenging, as generic safety models fail to capture task-specific requirements, while prompting LLMs suffers from inconsistent boundary-case performance and high inference costs. Training custom classifiers achieves both accuracy and efficiency, yet demands substantial labeled data that is costly to obtain. We present BARRED (Boundary Alignment Refinement through REflection and Debate), a framework for generating faithful and diverse synthetic training data using only a task description and a small set of unlabeled examples. Our approach decomposes the domain space into dimensions to ensure comprehensive coverage, and employs multi-agent debate to verify label correctness, yielding a high-fidelity training corpus. Experiments across diverse custom policies demonstrate that small language models finetuned on our synthetic data consistently outperform state-of-the-art proprietary LLMs (including reasoning models) and dedicated guardrail models. Ablation studies confirm that both dimension decomposition and debate-based verification are critical for ensuring the diversity and label fidelity required for effective fine-tuning. The BARRED framework eliminates the reliance on extensive human annotation, offering a scalable solution for accurate custom guardrails.

Public agencies are beginning to consider large language models (LLMs) as decision-support tools for grant evaluation. This creates a practical governance problem: the model and scoring rubric should not be exposed in a way that allows applicants to optimize against them, yet the evaluation process must remain auditable, contestable, and accountable. We propose a TEE-based architecture that helps reconcile these requirements through remote attestation. The architecture allows an external verifier to check which model, rubric, prompt template, and input representation were used, without exposing model weights, proprietary scoring logic, or intermediate reasoning to applicants or infrastructure operators. The main artifact is an attested evaluation bundle: a signed, timestamped record linking the original submission hash, the canonical input hash, the model-and-rubric measurement, and the evaluation output. The paper also considers a scenario-specific prompt injection risk: applicant-controlled documents may contain hidden or indirect instructions intended to influence the LLM evaluator. We therefore include a canonicalization and sanitization layer that normalizes document representations and records suspicious transformations before inference. We position the design relative to confidential AI inference, attestable AI audits, zero-knowledge machine learning, algorithmic accountability, and AI-assisted peer review. The resulting claim is deliberately narrow: remote attestation does not prove that an evaluation is fair or scientifically correct, but it can make part of the evaluation process externally verifiable.

Kohn-Sham (KS) eigenvalues are routinely compared with angle-resolved photoemission (ARPES) and used as input for many-body methods, yet density functional theory (DFT) assigns them no physical meaning. For alkali and alkaline-earth metals, KS bandwidths overestimate ARPES measurements by 20-35%, a discrepancy that persists across all exchange-correlation functionals. We construct an effective field theory (EFT) of the inhomogeneous electron gas and show that two conditions imply KS bands are the quasiparticle bands, up to a frozen-core renormalization factor zcore: a scale separation between core excitation energies and the valence Fermi energy, and an approximate Galilean invariance of the uniform electron gas confirmed by diagrammatic Monte Carlo. This factor reflects dynamical core excitations that conventional pseudopotentials freeze out and no static potential can capture. The correction 1-zcore reaches 20-35% for alkali metals but falls below 5% for Al and Si, explaining both the failure and success of KS band theory. We derive a closed-form post-SCF formula and validate it for Li, Na, K, Ca, Mg, Al, and Si; the predicted quasiparticle bands resolve the long-standing ARPES bandwidth discrepancy, matching embedded dynamical mean-field theory at negligible cost. This work also exemplifies first-principles agentic science, a direction particularly suited to the AGI-for-Science paradigm: an LLM-co-developed derivation with controlled approximations, verified symbolically and against a few experiments, becomes a deterministic harness for agentic scale-out, resolving simultaneously the LLM audit bottleneck and the non-falsifiability of fit-based AI-for-science.

Landslide susceptibility prediction is critical for geohazard risk assessment and mitigation. Conventional data-driven paradigm achieves high predictive accuracy but require sufficient conditioning factors and large-scale landslide inventories. However, in practical engineering applications across mountainous and plateau regions, data-scarce conditions are commonly observed, where such data requirements are rarely satisfied, rendering conventional data-driven paradigm inapplicable. To address this issue, we propose a knowledge-data dually driven paradigm for accurate landslide susceptibility prediction under data-scarce conditions. The essential idea behind the proposed novel paradigm is the integration of the geomorphic prior knowledge with scarce landslide data. To validate the proposed paradigm, we first applied it to a data-rich region in central Italy, where a conventional data-driven paradigm trained on the full dataset served as the baseline. By utilizing only 30% of the available landslide data, the proposed paradigm achieved comparable predictive accuracy to the baseline, demonstrating its effectiveness under data-scarce conditions. The paradigm was further evaluated in a genuinely data-scarce environment for application, the Qilian Permafrost Region of the Tibetan Plateau, where it also yielded reliable susceptibility predictions, confirming its applicability under data-scarce conditions.

Chip placement is a critical step in physical design. While reinforcement learning (RL)-based methods have recently emerged, their training primarily focuses on wirelength optimization, and therefore often fail to achieve expert-quality layouts. We identify the reward design as the primary cause for the performance gap with experts, and instead of formalizing intricate processes, we circumvent this by directly learning from expert layouts to derive a reward model. Our approach starts from the final expert layouts to infer step-by-step expert trajectories. Using these trajectories as demonstrations or preferences, we train a model that captures the latent implicit rewards in expert results. Experiments show that our framework can efficiently learn from even a single design and generalize well to unseen cases.

Neural operators have emerged as powerful data-driven surrogates for learning solution operators of parametric partial differential equations (PDEs). However, widely used Fourier Neural Operators (FNOs) rely on global Fourier representations, which can be inefficient for resolving anisotropic structures, sharp gradients, and spatially localized discontinuities that arise in shock-dominated and multiscale regimes. To address these limitations, we introduce the Shearlet Neural Operator (SNO), a neural operator architecture that replaces the Fourier transform with a shearlet-based representation. Shearlets offer directional, multiscale, and spatially localized atoms with near-optimal sparse approximation of anisotropic features, providing an inductive bias aligned with PDE solutions containing edges, fronts, and shocks. SNO learns in the shearlet domain and reconstructs predictions via the inverse transform, retaining efficient spectral computation while improving locality and directional selectivity. Across seven benchmark PDE families, including strongly anisotropic advection, anisotropic diffusion, and nonlinear conservation laws with straight, curved, interacting, spiral, and polygonal shock structures, SNO consistently improves predictive accuracy and feature fidelity over FNO baselines, with the largest gains observed in anisotropic and discontinuity-dominated settings.