The proliferation of AI-generated synthetic media poses a critical threat to the integrity of digital evidence in legal and forensic contexts. Existing deepfake detection systems typically address a single modality and provide no mechanism for tamper-proof evidence preservation. We present DeepFake Forensics AI, a unified platform that detects synthetic media across image, video, and audio modalities, identifies generative architecture fingerprints, and anchors forensic evidence immutably on the Ethereum blockchain. Our system trains four independent neural networks from scratch: an EfficientNet-B4 image detector (AUC = 0.9868), a Bidirectional LSTM video detector (AUC= 0.9628), an ECAPA-TDNN audio detector (EER = 18.63%), and a novel GAN fingerprinting module (accuracy = 99.88%) that identifies the generative architecture behind a fake image. Evidence files are hashed with SHA-256, stored on IPFS via Pinata, and registered on-chain via a Solidity smart contract with role-based access control. The platform provides a React frontend and FastAPI backend suitable for deployment in forensic and legal workflows. To our knowledge, this is the first system to unify multi-modal deepfake detection with blockchain-based chain-of custody management.

A novel two-phase molecule inference framework, mol-infer, has recently been developed to infer chemical graphs with prescribed abstract structures and desired property values through mixed integer linear programming (MILP) under the two-layered model, with guaranteed optimality and exactness relative to the given learned prediction function and structural constraints. In this study, we extend this framework to copolymers by introducing a simple feature representation, called the mixing vector (MV) model. In the proposed model, a copolymer feature vector is represented as a convex combination of MILP-tractable monomer descriptors weighted by the mixing ratio of the constituent monomers. This representation does not require explicit sequence-class information and is therefore naturally compatible with MILP-based inverse design. Under this model, we construct prediction functions for several copolymer property datasets using artificial neural networks, reduced quadratic multiple linear regression, and random forests. The proposed representation achieves practically useful predictive performance across multiple physicochemical property datasets; in particular, the best test R^2 score exceeds 0.7 for nine of the ten datasets and exceeds 0.9 for six datasets. We also formulate a multi-monomer inverse-design problem under the MV representation with a prescribed mixing ratio and show that the resulting MILP instances remain tractable, even for three-monomer settings. Finally, we perform an external consistency check by re-evaluating the inferred candidates and comparing the re-computed property values with those predicted by the learned model. Overall, the proposed framework gives a tractable first step toward model-level exact inverse design of copolymers under the two-layered model.

We present a novel formulation for mesh-free, reduced-order simulation of deformable hyperelastic objects. Existing work in reduced-order elastodynamic simulation represents the input geometry by either meshes, which can be difficult to obtain due to challenges in scanning and triangulating complex shapes, or by neural fields that require per-shape optimization. We propose to adopt a Reproducing Kernel Particle Method (RKPM) representation, which enables the construction of reduced-order skinning weights by solving a generalized eigensystem on the Hessian matrix of the elastic energy. We demonstrate that this formulation not only leads to a 40x training speedup compared with the per-shape optimization of neural fields, but also achieves lower simulation error when evaluated against the converged results of finite element method. We show our simulation results on a wide variety of objects in different representations including meshes and Gaussian splats, as well as the application of our method in the downstream task of robot simulation.

We present Code-QA-Bench, a fully automated framework for synthesizing repository-level code understanding benchmarks that separates genuine code comprehension from documentation recall and pretraining memorization. The framework makes two methodological contributions: (1) an answer-first generation pipeline where a tool-equipped agent explores source code to produce verified gold answers before deriving questions, ensuring every task is grounded in real code structure; and (2) a three-condition experimental design evaluating agents under closed-book (no repository), code-only (documentation removed), and documented (full repository) conditions, with deltas directly quantifying documentation utility and memorization. We generate 528 code-derivable and 100 doc-dependent tasks across 10 Python repositories from SWE-Bench, scored by an LLM judge on accuracy, completeness, and specificity. Experiments on four frontier models reveal that code access is the dominant factor (+0.23 mean gain over closed-book), documentation provides modest additional benefit (+0.071 on doc-dependent tasks), and code-only $\approx$ documented on code-derivable tasks, validating the design. The framework is open-source and applicable to any well-documented Python repository.

Many applications require statistically valid inference across many related tasks, while using only a handful of high-quality labels per hypothesis. In AI evaluation, these tasks may correspond to model behaviors across prompts, subgroups, or hypotheses; in social science surveys, they may correspond to related questions, populations, or measurement conditions. Prediction-powered inference (PPI) uses abundant but inexpensive proxy measurements to improve inference from limited, ground-truth labels, but commonly used methods treat tasks independently and therefore fail to exploit shared structure across related tasks. This limitation is especially important in settings where only a small number of labels are available per task. To address this issue, we introduce a multi-task prediction-powered inference framework that uses labeled data from related tasks to improve power while preserving task-specific inference. Our methods exploit the shared structure in the proxy-ground-truth relationship through cross-task recalibration, while retaining within-task rectification and power tuning to construct accurate point estimates and confidence intervals. We prove that efficiency gains beyond power-tuned PPI are only possible when the proxy-ground-truth relationship contains nonlinear structure; affine cross-task recalibrations are asymptotically equivalent to using the original proxy. We complement our theoretical findings with experiments on synthetic and semi-synthetic datasets, as well as a case study auditing language models on election-related information during the 2024 U.S. presidential election. Using a large human-annotation study, we show that cross-task recalibration can substantially reduce confidence interval widths when labels are scarce.

This paper presents a survey and taxonomy of LLM fingerprinting and watermarking for identity, ownership verification, provenance, and generated-content attribution. Large language models (LLMs) require substantial investments in data, computation, and expertise, and are increasingly deployed in high-stakes settings, making it critical to protect LLM-related assets and trace their origins. Existing work has rapidly expanded across dataset provenance, model ownership, and generated-content detection, but the field remains fragmented: fingerprinting and watermarking are often used inconsistently, and methods are typically studied within isolated asset-specific settings. To address this gap, we introduce implicit identity as a unifying abstraction for verifiable but not directly observable identity signals in LLM systems. We distinguish fingerprinting as non-intrusive identity derived from intrinsic characteristics, and watermarking as intrusive identity deliberately embedded into data, models, or generated content. We then propose a lifecycle-based taxonomy that organises techniques across datasets, models, and generated content, and further separates them by verification semantics: similarity-based attribution and keyed verification. Finally, we establish an evaluation framework centred on identifiability, robustness, and deployability, summarising representative metrics under realistic access and transformation regimes. By unifying terminology, lifecycle stages, and evaluation objectives, this survey provides a structured foundation for studying LLM identity technologies and for developing more reliable mechanisms for asset protection and provenance.

Non-uniform scaling control of formation enables multi-agent systems to adjust their shape by scaling with different ratios along different coordinate axes, offering enhanced flexibility in complex environments. However, like most existing formation maneuver strategies, it typically assumes a fixed set of agents, limiting its applicability in scenarios requiring dynamic team expansion. This paper introduces a distributed control framework that enables a formation to incorporate new agents during non-uniform scaling maneuvers in arbitrary dimensions while preserving the spectral properties of the graph Laplacian. Simulation examples validate the effectiveness of the theoretical results.

Traditional recommender systems (RecSys) primarily infer user preferences from implicit signals (such as clicks, watches, and purchases), often neglecting the rich explicit contextual feedback users provide through verbal text, like comments and reviews. This explicit context feedback captures the nuanced reasons behind user decisions regarding their preferences. In addition, it offers critical heterogeneous information for user preference alignment and more explainable recommendations. Overlooking such signals can lead to misaligned user preferences and further reinforce filter bubbles, as algorithms fail to understand the "semantic context" behind user choices. Recent advances in Large Language Models (LLMs) present new opportunities to harness user-generated content for more accurate and diverse recommendations, yet current LLM-based recommendations still focus on using item meta-data and underutilize this resource. In this paper, we advocate for prioritizing explicit context feedback in the next generation of LLM-based RecSys. We review the evolution of recommendation paradigms, highlight the value of context-rich feedback, call for new benchmarks and metrics, and introduce frameworks for integrating explicit user signals into scalable LLM-driven RecSys. Centering on user-preference modeling, we aim to foster more personalized, transparent, and explainable RecSys online platforms.

Federated Conformal RAG (FC-RAG) provides distribution-free coverage for a bandwidth-limited swarm of weak language models, but only at a fixed horizon. We extend it to anytime-valid sequential coverage: validity at every stopping time, preserved under predictable adaptive control (recalibration, per-node bandwidth escalation, distilled-student refresh), at no extra cost in assumptions over fixed-horizon FC-RAG. Naive composition fails because FC-RAG's marginal coverage bound makes the betting e-process a non-supermartingale on adverse calibration draws, and Ville's inequality cannot be invoked. We give Anytime-FC-RAG, a sequential extension built on a summable per-step calibration-deviation budget that converts the marginal bound into a strict conditional bound on a calibration-good event, paired with a truncated betting e-process that is a nonnegative supermartingale on the entire probability space. From these two ingredients, we obtain four guarantees: time-uniform alarm validity $\mathbb{P}(\sup_t E_t \ge 1/δ_e) \le δ_e + δ_{\mathrm{cal}}$, a Hoeffding-stitched cumulative-miscoverage envelope at the same total budget, safety under any predictable controller (recalibration, bandwidth escalation, student refresh), and training-side error propagation across an unbounded sequence of Federated Probe-Logit Distillation (FPLD) refreshes via a summable training budget. As a practical consequence, an adaptive controller that escalates retrieval bandwidth only when the e-process crosses a warning threshold matches the alarm rate of a fixed-high-bandwidth schedule at substantially lower communication cost. Experiments on a GPT-2-small + MiniLM swarm across MMLU, DBpedia, and AG News verify the predicted alarm rate, detection delay, envelope coverage, and $14$-$57\%$ bandwidth savings; the alarm fires when and only when coverage genuinely breaks.

We propose a minimal dynamical model of adaptive softmax routing for a two-expert Mixture-of-Experts (MoE) layer. The model is obtained as a mean-field limit of a discrete reinforcement rule: the selected expert receives a small score increment, while all scores undergo regularizing decay. In the symmetric case the limiting system has a supercritical pitchfork bifurcation: for weak feedback there is a unique stable balanced state, whereas above a critical feedback strength two stable asymmetric states appear. When an external asymmetry is added, the pitchfork unfolds into a pair of fold bifurcations forming a cusp in the control-parameter plane. We derive exact parametric equations for the bifurcation set and the local normal form of the cusp catastrophe. Numerical experiments connect this picture to empirical expert load, a small trainable MoE model, hard top-1 PyTorch routing, and a small classification experiment on digits. The results provide a controlled low-dimensional mechanism for abrupt transitions to load imbalance in adaptive MoE routers.

Unix competence is the ability to use shell and operating-system primitives as first-class tools, not merely to write programs through a terminal. Current terminal benchmarks tend to blur this distinction: a solver fluent in Python but weak in Unix can pass a substantial fraction of Terminal-Bench 2.0, while the reverse skill profile is rarely exercised. We make the distinction operational and build a training surface for the Unix component. unix-ctf is a procedural generator of capture-the-flag tasks for shell agents. Each task hides a short token (a flag of the form flag(a3b1c9...)) inside a fresh Linux container using a single Unix feature, and the agent must recover it. Tasks are produced by an LLM-assisted synthesis pipeline that generates candidate hiding techniques, rewrites them into parameterized hide-and-find script pairs, and filters them with a bidirectional contract: the hide script must leave no plaintext trace of the flag on disk, and the find script must recover the flag in a fresh directory. Because the LLM only writes the planting and recovery steps (the container, layout, and grading harness are fixed), the pipeline lands 656 of 750 raw attempts as portable, reusable variants (87.5\%). Our reproduction of Endless Terminals' full-container-generation approach lands only 17.4\% under the same checks. The 656 variants canonicalize to 155 distinct techniques. Fine-tuning Qwen3-8B with LoRA using GRPO on this surface lifts solve rate from 11.6\% to 43.6\% on a 15-skill multi-family holdout (n=225), redistributes which InterCode-CTF tasks the model solves, and produces a +33 pp gain in Forensics while reaching 32/100 on InterCode-CTF. These results suggest that Unix competence is separable, trainable, and best evaluated directly rather than folded into programming-through-a-shell.

Vision-Language-Action (VLA) models with integrated reasoning have been proposed for end-to-end autonomous driving, assuming a tight coupling between reasoning and trajectory generation. However, the robustness of such systems under realistic input perturbations remains largely unexplored. We show that these models are highly vulnerable to realistic input perturbations, achieving up to 89% attack success rate (ASR) on reasoning and up to 72% on trajectory manipulation in closed-loop simulation, leading to increased collision rates and degraded safety metrics. Using NVIDIA's recent Alpamayo models as representative industry-developed VLAs, we conduct the first systematic black-box study of reasoning-enabled VLA models under realistic textual input corruptions, evaluating their impact on reasoning and driving behavior. We introduce a reasoning-aware evaluation framework capturing both semantic and structural aspects of reasoning, along with safety-centric measures. We also introduce a benchmark for evaluating attacks and defenses on reasoning-trajectory interactions in autonomous driving. Our results highlight the need for rigorous evaluation and improved defenses to ensure the safety of reasoning-enabled VLA systems in autonomous driving.

The recursive quad-tree partitioning in High Efficiency Video Coding (HEVC) incurs considerable computational overhead, with exhaustive rate-distortion optimization for CTU partition prediction consuming the dominant share of encoding time. Although partition prediction through deep learning has emerged as a viable encoding accelerator, an architectural dichotomy remains largely unaddressed: CNNs are computationally efficient but spatially myopic due to their localized effective receptive fields, failing to capture long range semantic relationships and repetitive textures; conversely, transformer based architectures are better at capturing global context but incur prohibitive CPU latency, a critical liability that impedes deployment which is predominantly CPU-bound. This paper introduces Hybrid Fast Vision Transformer (HFViT), a hybrid architecture designed to accelerate HEVC intra-mode partition prediction. HFViT fuses a reparameterized depthwise-separable convolutional backbone with a Hierarchical Attention Transformer (HAT) mechanism, leveraging a carrier token scheme to enable efficient global information propagation at sub-quadratic complexity. Post-training structural fusion collapses batch normalization into preceding layers to further reduce latency. Comprehensive evaluation reveals the efficacy of HFViT in accelerating HEVC intra-encoding across resolutions. On standard JCT-VC test sequences, HFViT reduces the average VMAF BD-rate penalty by 2.4, 2.6, and 7.9 percentage points on Classes A, B and E, respectively, as compared to the competing ETH-CNN baseline while maintaining CPU inference latency within 8% of the CNN baseline and surpassing it on GPU by 40%, establishing practical viability for real-time encoder integration.

Smart contract decompilation aims to recover high-level source code from bytecode, but evaluating decompilers remains difficult because existing studies use narrow datasets, inconsistent metrics, and limited semantic consistency checks. This gap is increasingly important as large language models (LLMs) begin to generate source-like Solidity that may compile and appear plausible, even when its semantics diverge from the original contract. We introduce SCDBench, a dataset and benchmark methodology for LLM-based smart contract decompilation. The dataset contains 600 real-world Solidity contracts with paired bytecode inputs, ground-truth source code, and replayable semantic checkpoints. SCDBench evaluates decompiler outputs through four cumulative stages: format completeness, compilability, Application Binary Interface (ABI) recovery, and semantic consistency via differential replay. We evaluate Claude Opus 4.7, GPT-5.3-Codex, and GLM-5 in a zero-shot decompilation setting, including GLM-5 variants with and without extended reasoning and a zero-shot compilation-repair setting. The results show that frontier LLMs can often produce structured and compilable Solidity, but achieving semantic consistency remains far from solved: the best-performing frontier model perfectly decompiles only 42/600 contracts. We further show that introducing same-model compilation repair substantially improves performance at modest additional cost. SCDBench establishes a common ground for rigorous, reproducible evaluation and aims to accelerate the development of reliable smart contract decompilers for blockchain security and transparency.

We investigate conditional diffusion modeling for three-dimensional 21 cm lightcone emulation, focusing on cubes with a sky-plane size of $64\times64$ and a line-of-sight depth up to 1024 cells. Relative to earlier 2D studies, the 3D setting is substantially harder because memory limits enforce very small micro-batches while the underlying voxel distribution is highly skewed and long tailed. We perform controlled comparisons across preprocessing choices, dynamic-range compression settings, architecture depth, and training duration using $25{,}600$ training lightcones and validation ensembles at fixed parameter points. For validation, each reference parameter point contains 800 21cmFAST realizations with independent initial conditions, and we use 800 samples per model and per reference set for the reported ensemble comparisons. We evaluate generated lightcones with complementary diagnostics in both image and summary-statistic spaces: brightness-temperature slices, the global signal, the power spectrum, and reduced scattering coefficients. Across the tested configurations, preprocessing is the dominant factor governing stable training and the resulting physical fidelity. Among the configurations explored here, Yeo-Johnson preprocessing combined with moderate amplitude compression gives the most consistently favorable trade-off, with the strongest quantitative support coming from rankings based on the standard-deviation-normalized mean absolute error ($\mathrm{MAE}_{\rm std}$) of the global signal and qualitatively compatible behavior in the complementary diagnostics. At the same time, visually plausible 3D samples still retain measurable biases in two-point and higher-order statistics. We therefore view the present work as a simulation-level baseline for three-dimensional 21 cm emulation and for future studies that incorporate more realistic observational effects.

LLMs are vulnerable to prompt injection attacks. However, this vulnerability has been primarily demonstrated conceptually in academic studies or through a few anecdotal case studies. Its prevalence and impact in real-world LLM-based applications are largely unexplored. In this work, we present the first systematic study of prompt-injection attacks in a widely used application: LLM-based resume screening. Our analysis is based on approximately 200K real-world resumes collected over multiple years by hireEZ. We first design tailored methods to detect prompt injection in resumes. Manual validation on a small-scale dataset demonstrates that our detectors achieve high precision and outperform state-of-the-art general-purpose detectors. We then apply our detector to the full resume dataset and conduct a comprehensive measurement study of real-world prompt injection attacks. Our analysis reveals several intriguing findings: approximately 1% of resumes contain hidden prompt injections; the prevalence of such injected resumes has increased noticeably over the past one to two years; and more than 90% of injected prompts do not use explicit instructions. These results provide the first evidence of large-scale prompt injection in real-world LLM-based applications and lay the groundwork for future studies to understand and mitigate such attacks.

Given a matrix $X$, and two ranks $r_1$ and $r_2$, the Hadamard decomposition (HD) looks for two low-rank matrices, $X_1$ of rank $r_1$ and $X_2$ of rank $r_2$, both of the same size as $X$, such that $X\approx X_1\circ X_2$, where $\circ$ is the Hadamard (element-wise) product. In most cases, HD is more expressive than standard low-rank approximations such as the truncated singular value decomposition (TSVD), as it can represent higher-rank matrices with the same number of parameters; this is because the rank of $X_1 \circ X_2$ is generically equal to $r_1 r_2$. In this paper, we first present some theoretical insights for HD, in particular a useful reformulation $X\approx WH^\top$ where $W$ and $H$ have $r_1 r_2$ columns and belong to certain manifolds. These allow us to develop three new algorithms for computing HD. The first one uses the representation $X\approx X_1\circ X_2$ and relies on the Manopt toolbox. The other two rely on the reformulation $X\approx WH^\top$: one is a block projected gradient method, and the other is a manifold-based gradient descent algorithm that does not require projection onto the feasible set. The last two algorithms are particularly effective for handling large sparse data. We also propose new initializations that allow us to improve the accuracy of the HD. We compare our algorithms and initialization strategies with the TSVD and with the state of the art. Numerical results show that the new methods are efficient and competitive on both synthetic and real data.

Existing theory of momentum assumes that gradients arrive at every parameter at a roughly constant rate, an assumption violated in practice by heavy-tailed data distributions and modern architectures. We theoretically analyze the dynamics of two tractable models of momentum under sparse updates: a least squares model with sparse inputs and a logistic regression model with a rare class. Both admit exact closed-form second-moment dynamics whose high-dimensional limits we characterize across three scaling exponents for sparsity, batch size, and momentum decay. The phase structure on both problems is governed by the ratio of two intrinsic timescales: a momentum retention timescale (how many active updates the buffer survives) and a learning timescale (how many active updates it takes to reduce the squared error). When learning is much slower than retention, the limit matches SGD; when learning is faster, the system is unstable; where the timescales coincide, we recover classical heavy-ball dynamics. The oscillatory dynamics occur at different momentum values for different token sparsity, creating a spectral conflict for global momentum across token frequencies.

Recently observed empirical scaling laws describe the performance of foundation-type models as three independent key quantities -- dataset size, compute, and model parameters -- are modified. Extracting these scaling laws informs the training of large complex models for which the tuning of hyperparameters in traditional ways is not feasible. This work for the first time explores if scaling laws can also be observed for the task of particle jet generation -- both relevant as a pre-training objective for foundation models and as in-situ simulation by itself. We indeed replicate the key logarithmic scaling law behavior for model-size scaling. Beyond studying the next token prediction validation loss of the generative model, we also study the sliced Wasserstein distance of five physical quantities that are not immediately available to the model during training. Our study shows that this quantity is monotonically related to the next token prediction validation loss, meaning that this loss is indeed a good proxy for the physics performance. For the scaling with dataset size and compute, we observe substantially weaker scaling behavior of both the loss and the sliced Wasserstein distance. We analyze this behavior by introducing the concept of a learnable window, and argue that autoregressive next token prediction on jet constituents exhibits comparatively rapid saturation relative to language-model studies. We discuss possible origins of this behavior, including the stochastic nature of QCD radiation and differences between generative and supervised learning tasks in collider physics.

Tool-using language agents turn model decisions into external side effects: they read files, run scripts, call APIs, send messages, and invoke Model Context Protocol tools. This makes agent attacks different from jailbreaks. The harmful step is often not an obviously forbidden output, but an ordinary executable action that becomes unsafe because attacker-controlled context steers authorized access against the user's interest. We identify this failure mode as authority confusion: untrusted resources may inform reasoning, but they must not authorize side effects. We present AIRGuard, a runtime guard that operationalizes least privilege as action-time authorization. AIRGuard normalizes heterogeneous tool calls, derives task authority into step-level authority, tracks source and target trust, simulates sensitive side effects, audits cross-step risk, and enforces decisions before actions execute. On AgentTrap, AIRGuard reduces Sonnet 4.6 attack success from 36.3% without defense to 5.5%. On DTAP-150, AIRGuard preserves 76.0% benign utility with Haiku 4.5, compared with 52.0% for ARGUS and 42.0% for MELON. An ablation further shows that prompt-only policy helps only modestly, whereas a dedicated runtime authority-control layer gives the agent system direct control over tool-mediated side effects. Code and data are available at https://github.com/Sophie508/AIRGuard.

Artificial Intelligence has achieved remarkable success across diverse application domains. However, its vulnerability to adversarial attacks poses significant challenges to reliability, security, and trustworthiness. Adversarial machine learning demonstrates that even highly accurate models can be manipulated through carefully crafted perturbations, raising serious concerns in safety critical systems such as healthcare, finance, and autonomous technologies. In parallel, quantum computing has emerged as a transformative paradigm capable of addressing complex computational problems through principles such as superposition, entanglement, and quantum interference. The convergence of these fields has led to the emergence of quantum artificial intelligence, which explores how quantum techniques can enhance learning efficiency, scalability, and robustness. This chapter provides a comprehensive overview of adversarial machine learning and existing defense strategies, followed by an accessible introduction to quantum computing and quantum machine learning models. It further presents conceptual frameworks for quantum-enhanced adversarial robustness, emphasizing quantum optimization, feature mapping, and hybrid quantum classical architectures. Practical applications, key challenges, and future research directions are also discussed to support the development of secure and trustworthy AI systems.

Large Language Models with Chain-of-Thought reasoning capabilities represent valuable intellectual property, yet existing black-box watermarking methods often trade robustness for reasoning fidelity by perturbing final answers or relying on fragile trigger patterns. We propose BiCoT, a watermarking framework that embeds ownership signals into the internal geometry of reasoning traces by aligning high-saliency structural anchors with a private signature subspace while regularizing ordinary control tokens to preserve semantic capacity. This design couples the watermark with reasoning-relevant representations, making removal difficult without disrupting the features that support coherent reasoning. To enable verification under model theft and representation drift, we introduce Robust Subspace Registration (RSR), a Top- logprob-based black-box verifier that uses sentinel tokens to calibrate systematic shifts in the output distribution. Experiments show that BiCoT preserves reasoning fidelity across diverse complex reasoning tasks while achieving robust detection under fine-tuning, quantization, model-level perturbations, and adaptive output-level attacks across in-domain and out-of-distribution settings.

Real-world user behavior rarely consists of isolated actions; instead, it often forms intent flows governed by spatiotemporal dependencies. To provide integrated service recommendations, we focus on the task of Generative Spatiotemporal Intent Sequence Recommendation (GSISR), which aims to generate intent sequences that are logically coherent and physically executable within complex spatiotemporal contexts. While LLMs offer strong reasoning potential for GSISR, direct industrial deployment is limited by high inference latency and context-mismatched or physically infeasible plans. To address these challenges, we propose a generative framework, GPlan, that internalizes LLM reasoning into lightweight models through two components. First, to enable reasoning under strict latency constraints, we introduce Progressive Implicit CoT Distillation, which compresses explicit reasoning processes into reserved latent tokens, allowing small models to inherit complex planning logic without generating long reasoning text. Second, to address the disconnect between general knowledge and real-world constraints, we design Spatiotemporal Counterfactual DPO. By aligning the model with counterfactual context-plan pairs, we improve sensitivity to spatiotemporal context and reduce context-mismatched plans. Offline experiments and online A/B testing demonstrate that our approach improves sequence coherence and context responsiveness. Our implementation and the anonymized GSISR dataset are available at https://github.com/alibaba/GPlan.

Antibodies play a central role in the immune response by specifically recognizing and neutralizing antigens, and therapeutic antibodies have become major drugs for cancer and autoimmune diseases. However, their discovery still relies on extensive in vitro screening, and accurate computational modeling of antibody structures and antibody-antigen interactions can prioritize candidates, reduce experimental burden, and accelerate rational design. Despite recent advances in high-accuracy protein and complex prediction, a persistent performance gap remains for antibody-related tasks compared with general protein-protein interactions, limiting downstream design. This thesis investigates why antibody-related tasks are harder and proposes improvements along two complementary directions. First, we investigate protein language model (PLM)-based methods for antibody and antibody-antigen structure prediction. Using embeddings from multiple PLMs, our approach achieves the best CDR-H3 accuracy among compared PLM-based methods on antibody monomer prediction. Extending it to complex prediction does not generalize: without co-evolutionary signals between antibody and antigen, single-sequence PLM representations do not reliably identify binding interfaces. Second, we develop two MSA-based interventions for antibody-antigen complex prediction: MSA refinement, which combines CDR-focused filtering with depth recovery from a larger sequence database, and convergence-aware recycling, which selects a stable intermediate recycle state for final diffusion sampling. Together, these interventions provide consistent gains over the AlphaFold3 baseline on a held-out antibody-antigen test set. Because the methods modify MSA construction and recycling behavior rather than model parameters, they apply without retraining or weight access.

CI failure logs are large (median 5k lines, max 200k in this corpus) and noisy. Coding agents that try to debug them depend on an upstream tool to reduce the log to a manageable context, but the field has had no public empirical comparison of which reductions preserve enough evidence for downstream LLM diagnosis. We introduce LogDx-CI, a benchmark that compares 11 context-reduction tools (raw, tail, grep, three RTK modes, two real LLM map-reduce summarizers, three hybrid routers) on 35 real GitHub Actions failure cases, scored by 3 LLM debugger families (Claude Haiku 4.5, Claude Sonnet 4.6, OpenAI gpt-5-mini) plus a Sonnet 4.6 tool-using agent. We report three load-bearing findings. (1)~Hybrid grep+tail routers dominate the cost-quality Pareto frontier; the top two methods score 0.670 / 0.666 at $\sim$ \$0.03 per case, same-ballpark quality as standalone grep at $4.5\times$ fewer tokens. (2)~In the agent-loop regime, the quality range across reduction tools collapses $7\times$ (single-shot spread 0.42 $\to$ agent-loop spread 0.059); the agent rescues weak contexts via follow-up tool calls. However, cost differences persist: weak contexts force the agent to issue 2--4$\times$ more tool calls to recover. (3)~A cross-family LLM-summary pair (gpt-5-mini summarizer feeding a Claude Haiku debugger) beats the same-family pair by $+0.071$ averaged across four diagnoser variants, falsifying the self-call-bias hypothesis on this task. The gpt-5-mini summarizer is also the agent-loop \#1 method (score 0.749) at $0.37$ tool-calls per case and $10\times$ lower reducer cost than the Haiku summarizer (\$0.18 vs \$1.75 per case). All data, code, per-case bundles, and reproducibility infrastructure are public.

A recent article [Phys. Rev. X 15, 011047 (2025)] utilizes group-equivariant convolutional neural networks to study the ground state of the kagome Heisenberg antiferromagnet. On the largest finite-size cluster studied to date ($N=108$), the authors report variational energies significantly lower than other numerical methods, including state-of-the-art density matrix renormalization group (DMRG) calculations. In contrast to previous results suggesting a possible spin-liquid ground state, the authors observe a spinon pair-density-wave ground state. We find that: (i) the reported low energies are artifacts of broken ergodicity in the Metropolis--Hastings sampling, since the single-spin-flip update rule utilized by the authors effectively freezes the Markov chains; and (ii) when ergodic sampling is enforced via spin-exchange updates, the neural network converges to energies significantly higher than existing DMRG results, calling the paper's claims into question.

This work presents an end-to-end strategy for solving inverse problems constrained by Partial Differential Equations within a fully differentiable Machine Learning framework. The proposed formulation provides a unified and user-friendly methodology applicable to a wide range of problems, from data assimilation to closure modeling. Our approach combines a baseline differentiable PDE solver, which predicts the state w from the nonlinear system $R(w) = 0$, with a generic additive, parametrized, and differentiable correction $f_ϕ(w)$, with trainable parameters $ϕ$. We show how to optimize phi within a fully differentiable Python workflow by reformulating the PDE as an implicit layer, enabling its integration into arbitrary objective functions, while leveraging PyTorch's automatic differentiation graph. The method is demonstrated on the Reynolds-Averaged Navier-Stokes equations for compressible flows, where the closure term, or a portion of it, is modeled using trainable parameters or a Neural Network. The first application considers the 2D NASA Wall-Mounted Hump test case, where a production-term parameter is optimized against time-averaged LES data. A second application is carried out on the VKI LS-59 turbine blade, where the Spalart-Allmaras eddy viscosity field is reconstructed through the optimization of a trainable spatial field. A dataset is generated starting from the VKI LS-59 turbine blade geometry using the differentiable BROADCAST solver with the Spalart-Allmaras turbulence model. The results highlight the flexibility of the framework, showing its applicability beyond turbulence modeling to a broader class of physics-informed PDE-constrained problems with data-driven components.

Portfolio optimization in real-world financial markets is notoriously difficult due to non-stationarity, noisy data, and high transaction costs. Standard predict-then-optimize methods first forecast returns and then solve for weights, compounding prediction errors and often failing under regime shifts. We propose an end-to-end framework that directly optimizes differentiable surrogates of key financial metrics - Sharpe ratio, Omega ratio, Conditional Value-at-Risk (CVaR), and Risk Parity - allowing neural networks to learn portfolio weights via backpropagation. Our expanding-window walk-forward procedure, applied to 50 S&P 500 stocks from 2007 to 2023, incorporates realistic bid-ask spread costs and rebalances quarterly. On the challenging out-of-sample test period (2022-2023), the best model - an AttentionLSTM with the Omega-CVaR-RiskParity loss - achieves an annualized Sharpe of 0.29 and a total compounded return of +7.86%, while the S&P 500 delivers -4.52% total return and an annualized Sharpe of -0.02. This outperforms the S&P 500 by 12.38 percentage points (a relative improvement of over 270%), while keeping tail risk (CVaR) nearly unchanged. The framework consistently outperforms the equal-weight portfolio, S&P 500, and traditional methods (MVP, HRP, NCO), demonstrating that embedding financial objectives directly into model training yields robust, economically meaningful outperformance even in adverse market conditions.

The martian atmosphere hosts dynamical phenomena ranging from planet-encircling dust storms to mesoscale orographic clouds and nocturnal low-level jets. General circulation model show capability to simulate these phenomena, but is computationally expensive at resolution needed to resolve mesoscale features. While assimilation of satellite remote sensing observation enable forecasting capabilities using such models, observation record is often sparse, short and fragmented across instrument generators. These constraints motivate the development of a data-driven foundation model for the Martian atmosphere. Foundation models live in a complex design landscape. There is an interplay between the available data, the physics of the underlying processes and corresponding developments in AI. Even though the idea of a foundation model is to address multiple use cases in a data- and compute-efficient manner, it is important to have a clear picture what applications can sensibly addressed by a single model. The purpose of this paper is to elucidate this design landscape. We discuss available data ranging from atmospheric retrievals to reanalysis datasets as well as existing physical models. Moreover, we identify a wide range of candidate downstream applications. Finally, we consider relevant recent developments in artificial intelligence (AI) that can be leveraged in this context. Here, we put a particular emphasis on AI models for atmospheric physics, data-driven approaches to data assimilation as well as methods to work in a limited data setting.

Learning-assisted algorithm design often has to make reliable search decisions under small evaluation budgets, where committing to a single metaheuristic can be unreliable. We propose WASHH, a Whale-guided Adaptive Selection Hyper-Heuristic for continuous black-box optimization. WASHH uses WOA as the main exploitation backbone, but treats PSO-style memory, GWO-style leader averaging, DE-style variation, local coordinate search, and anchor-guided refinement as selectable search behaviors. An online reward controller allocates evaluations according to observed improvements, while anchor refinement exploits inexpensive reference configurations such as box centers or default model settings without bypassing black-box evaluation. On ten 30-dimensional benchmark functions with 10 independent runs and 12,000 evaluations, WASHH achieves the best average rank, 1.10, and is best or tied best on all ten functions. It strictly improves over WOA on eight functions and ties WOA at the numerical optimum on Rastrigin and Griewank. We further study SVC hyperparameter configuration for breast cancer diagnosis under a 300-evaluation budget. WASHH obtains the lowest mean validation log loss among the compared optimizers, suggesting that anchor-aware selection hyper-heuristics are a practical lightweight direction for LEAD systems.