LLM 理论进展
MAS-PromptBench: When Does Prompt Optimization Improve Multi-Agent LLM Systems?
Multi-agent systems (MAS) offer a scalable path forward for agentic AI, comprising multiple LLM-based agents, each assigned a system prompt and a position within a workflow that governs inter-agent coordination and output aggregation. System prompts thus form a critical and accessible optimization surface: they specify agents' roles and behaviors, enabling system-level improvements without model finetuning. Although prompt optimization has shown substantial potential for single LLMs, extending it to MAS poses distinct challenges, notably an exponentially growing search space. It remains unclear whether, when, and by how much prompt optimization improves MAS performance, and how sensitive such gains are to system configuration. In this work, we systematically study system-prompt optimization across a broad range of MAS setups varying in task, workflow, communication protocol, and team size, benchmarking two prompt optimizers that naturally extend state-of-the-art single-agent methods. The results reveal its potential to unlock significant gains while exposing open challenges, characterizing when and how much prompt optimization helps across diverse MAS settings.
From Task-Guided Conversational Graphs to Goal-Oriented Dialogue Runtimes
Graph and multi-agent orchestration frameworks make production large language model (LLM) workflows practical, but they do not by themselves solve conversational continuity when users maintain several interdependent objectives. This conceptual systems paper focuses on the high-complexity end of that design space, where goals can be suspended, resumed, revised, and invalidated by actions in other goals. We introduce the Goal-Oriented Dialogue Runtime (GODR), a framework-neutral design pattern that treats goals, task frames, lifecycle state, invalidation rules, and resumption contracts as first-class runtime objects while delegating bounded execution to graph runtimes, agents, tools, or application programming interfaces (APIs). GODR is not proposed as a replacement for workflow graphs in simple guided processes; it is intended for complex, multi-domain, interruptible conversations where objective continuity cannot be recovered reliably from agent identity, chat history, or execution-graph position alone. The paper formalizes the problem, proposes runtime objects and architecture-selection criteria, and frames evaluation as an agenda for future empirical validation rather than as a measured performance claim.
Catastrophic Compositional Generation: Why Vanilla Diffusion Models Fail to Extrapolate
The task of compositional generation involves using a conditional generative model, trained only on a subset of the possible conditions, to produce samples from compositionally-defined target distributions such as a geometric combination of the source distributions. In this work, we argue that this task is often infeasible for vanilla conditional diffusion models: we conjecture that no inference-time technique can efficiently produce samples from the target distribution in certain well-motivated settings. This idea is supported by theory-guided generalization arguments and carefully-designed experiments on both synthetic and realistic data. In particular, while recent methods such as Feynman-Kac correction reduce inference-time approximation error, our results show that score estimation error has a more catastrophic effect on performance when the target distribution is out-of-distribution with respect to the sources, highlighting the need for a different approach to this task.
Attention-Spectrum Regularization for Replay-Free Continual Multimodal LLMs
Multimodal large language models (MLLMs) are increasingly required to adapt to non-stationary streams of visual domains, question types, and user instructions, yet continual fine-tuning often causes severe forgetting of previously acquired multimodal skills. Existing continual vision-language methods mainly preserve outputs, replay data or pseudo-data, regularize embedding geometry, or allocate task-specific parameters, but they provide limited control over how internal cross-modal attention patterns supporting old skills drift during adaptation. We propose Attention-Spectrum Regularization (ASR), a replay-free continual learning framework that preserves skill-conditioned structures of cross-modal attention. ASR treats cross-attention maps as two-dimensional signals, summarizes their scale and directional properties into compact spectral statistics, and stores only skill-wise prototype distributions instead of replaying past image-question pairs, generated pseudo-examples, or old-stage teacher snapshots. In later stages, a phase-invariant spectral regularizer constrains harmful drift of these prototypes while allowing instance-level attention to adapt to new tasks. We provide theoretical analysis showing that skill-conditioned spectral drift controls forgetting under a spectral sufficiency assumption, and that Fourier power spectra are stable to spatial translations and bounded perturbations. Experiments on continual VQA and multimodal instruction-tuning benchmarks, including VQA v2, VQACL, CLT-VQA, CoIN, and UCIT, show that ASR consistently improves final performance and reduces forgetting over strong replay-, regularization-, and adapter-based baselines. Preserving skill-level attention structure is an effective and lightweight mechanism for continual MLLMs. Code is available at https://github.com/Creative-zcx/attention-spectrum-replay
A Dual-Track Framework for Template-Constrained LaTeX Conversion
With the increasing demands for advanced document conversion, mapping structured Markdown drafts into template-compliant formats like LaTeX remains a challenge. Existing approaches largely depend on either deterministic rule-based converters or pure end-to-end Large Language Model (LLM) generation. The former fails to correctly handle asset insertions and template-specific constraints, while the latter tends to induce semantic drift, leading to hallucinations that are difficult to debug. To address these limitations, we introduce a robust Dual-Track Framework that systematically decouples template formatting from document processing: an offline track extracts template constraints into a reusable manifest, while an online track implements a hybrid execution pipeline. This pipeline confines LLM usage exclusively to reasoning-intensive components (e.g., semantic metadata, bibliographic references, and complex visual/tabular layouts) while delegating rule-based engines for deterministic processing. Empirical evaluation across 7 LaTeX templates and 56 published research papers demonstrates that our method preserves better structural fidelity, satisfies diverse layout constraints, and achieves a higher compilation success rate compared to the previous baselines.
GIF: Locally Sound Geometric Information Flow Control for LLMs
Large language models increasingly mediate interactions between sensitive data, untrusted inputs, and privileged actions in agentic systems, creating security and privacy risks. These range from prompt injections that manipulate downstream tool use to leakage of confidential information through model outputs. Recent Information Flow Control (IFC)-based defenses show promise but lack a principled semantic foundation for reasoning about information flow through the model itself. Since any input token may influence any output token in an autoregressive LLM, existing approaches suffer from severe taint explosion. We present Geometric Information Flow (GIF), a semantic framework for tracking information flow from input tokens to outputs. GIF uses the LLM Jacobian and local output geometry to upper-bound the Shannon mutual information between perturbed input spans and model outputs, yielding a scalable measure computable on large models via automatic differentiation and low-rank approximation. Unlike attention-based or correlational attribution heuristics, GIF satisfies local geometric soundness, and we provide a fully mechanized Lean 4 proof that it upper-bounds the true information flow induced by a given prompt under local regularity assumptions. We evaluate GIF on integrity and confidentiality tasks across multiple prompt-injection and privacy-leakage benchmarks. GIF achieves near-perfect recall even without a downstream declassifier, outperforming attention-based baselines. Combined with lightweight LLM-based declassifiers, it matches or exceeds the F1 of direct LLM-as-judge baselines such as GPT-5.5 xhigh reasoning while using up to 81x lower token cost. GIF flows detected with small surrogate models transfer to larger state-of-the-art models and other model families, even when the surrogate is up to 200x smaller, suggesting black-box deployment without gradient access.
GRIMIP: A General Framework for Instance-Specific Configuration of MIP Solvers Using LLMs
Configuring the hyperparameters of Mixed-integer programming (MIP) solvers is a high-dimensional, instance-dependent optimization problem where suboptimal settings can degrade solving time by orders of magnitude. Default configurations are often suboptimal, while traditional tuning methods either suffer from the ``cold-start'' problem and inefficient search or heavily rely on expert experience. This paper introduces \textbf{GRIMIP} (\textbf{\underline{G}}eneral \textbf{\underline{R}}easoning for \textbf{\underline{I}}nstance-specific \textbf{\underline{MIP}} configuration), a novel hybrid intelligence framework that synergistically integrates the semantic reasoning capabilities of Large Language Models (LLMs) with the sample-efficient search of Bayesian Optimization (BO). GRIMIP enables the LLM to function as a complete probabilistic surrogate within the BO loop, significantly improving performance and reducing sampling and evaluation costs. On seven benchmarks including MIPLIB, GRIMIP achieves over 40\% reduction in Primal-Dual Integral on hard instances, outperforming SMAC and other LLM-assisted BO methods. By granting LLMs sufficient autonomy, GRIMIP combines the expert-level reasoning of LLMs with the efficient search of BO, achieving state-of-the-art performance.
Can LLMs Reliably Self-Report Adversarial Prefills, and How?
Prior work shows that large language models (LLMs) exhibit introspective capability on benign tasks. We extend the question to safety contexts and examine how reliably a model can recognize that its own prior response was elicited by an adversarial prefill attack. Across ten open-weight instruction-tuned LLMs (3B to 70B) and four safety benchmarks, no model reliably recognizes its own compromised outputs, with models claiming intent on prefilled responses at an average rate of \(27.3\%\). Introspective signal stems largely from safety- and refusal-related reasoning. Orthogonalizing models' weights against the refusal direction collapses the gap between claiming rates on prefilled and natural outputs to near zero, though the direction is not its unique mediator. The signal is also probe-dependent: framing the question as internal intention versus external tampering elicits qualitatively different responses on the same models. We test three LoRA finetuning methods (SFT, GRPO, DPO) on eight models from 3B to 27B; all three widen the intention-probe gap on every model from 8B to 27B, with method ranking varying by model. The intervention does not transfer to the tampering probe and counterintuitively raises attack success rate under adversarial prefill on most models, amounting to a partial mitigation. These findings outline mechanisms underpinning the observed introspective signals in safety contexts and highlight risks in the reliability of LLM self-reports.
RIFT-Bench: Dynamic Red-teaming For Agentic AI Systems
Agentic AI systems powered by large language models (LLMs) are rapidly evolving into autonomous decision-making systems, exposing attack vectors beyond those of traditional LLM vulnerabilities. Existing security evaluations are often tied to specific implementations or domains, limiting unified comparison across heterogeneous systems. To address this gap, we introduce RIFT-Bench, a graph representation-driven methodology for dynamic red-teaming that enables unified evaluations across diverse agentic architectures. Building on a novel hierarchical representation, RIFT-Bench operates in two automated phases: Discovery, which extracts system structure, and Scanning, which deploys adaptive adversarial attacks and produces a comprehensive evaluation report. It evaluates the examined system itself, leveraging a broad set of dynamically adaptable adversarial probes across diverse attack vectors and objectives. We demonstrate the effectiveness of the proposed evaluation pipeline across 45 agentic systems spanning a diverse range of implementations, showing that the approach generalizes effectively to heterogeneous agentic architectures. Beyond systems and attacks, RIFT-Bench also supports direct evaluation of mitigation strategies. These key capabilities make RIFT-Bench a scalable foundation for security evaluation of agentic AI systems.
Towards Spec Learning: Inference-Time Alignment from Preference Pairs
Steering a large language model (LLM) toward a desired behavior typically relies on an iterative process of hand-crafting a prompt based on a careful inspection of the model's responses. This is an involved, brittle, and error-prone process. Preference-based fine-tuning is a more rigorous but often prohibitively expensive solution. We propose spec learning, a framework that relies on a brief user instruction and a small set of preference judgments. These are compiled into specifications in the form of natural-language prompts for an LLM. Specifications condition LLMs at inference time, and no parameter updates to the underlying models are required. We show that the responses generated based on the compiled specifications often outperform direct preference optimization (DPO) on datasets from specialized domains whose preference signal is dense. Unlike opaque weight updates, the resulting specifications are human-readable and double as interpretable and transparent written embodiments of the preference signal that produced them.
Convergence of Gradient Descent for General Neural Network Architectures Beyond the NTK Regime
Training dynamics is central to understanding neural networks, yet its theoretical analysis remains difficult even for simple architectures and becomes substantially more challenging for general modern architectures. In this paper, we propose a convergence framework for analyzing gradient descent (GD) dynamics under a broad family of neural network architectures and datasets beyond the neural tangent kernel (NTK) regime. The framework is formulated at the level of network blocks and covers architectures including pre-normalized multi-layer transformers. More precisely, under mild assumptions, we prove that for almost all initializations, GD with regular learning rates converges to the neighbourhood of a stationary point. This is mainly proved by establishing an iterate-dependent PL-type inequality through analyticity and measure-zero arguments, and by proving Lipschitz smoothness along the GD trajectory through polynomial generalized smoothness and a local relaxed dissipative condition. We further interpret the theorem under Xavier initialization and practical architectural scaling, showing that the learning rate scale depends on the depth and effective bottleneck dimensions rather than the largest width. Finally, we derive structural nondegeneracy implications for residual connections and function composition, and provide a generic characterization of global minimizers within our framework.
Solve for the Hyperparameter, Skip the Search: Kolmogorov-Optimal Scaling Laws for Spline Regression
Hyperparameter tuning almost always means search: fit the model at every value on a grid, score each by cross-validation, and keep the winner. For spline regression that search is unnecessary. The optimal resolution can be solved for in closed form, to the accuracy an exhaustive search reaches, at a fraction of the compute. Three ingredients make this possible: classical approximation theory pins the squared bias to a known power of the resolution G, exactly the Kolmogorov n-width of the smoothness class; the basis dimension is an explicit polynomial in G; and leave-one-out error follows from a single fit via the PRESS identity. Balancing the two known curves gives the minimizer analytically. We extend this calculus to many coordinates by replacing ambient input dimension with interaction order, the number of active low-order components in an ANOVA decomposition, yielding a scaling law in which the optimal resolution and error are power functions of the effective density (sample size per active component), with input dimension absent from the exponent. The law becomes an algorithm. KORE (Kolmogorov-optimal Order-aware Resolution Estimation) fits two pilot resolutions, solves a leverage-calibrated 2x2 system for the bias and noise scales, and evaluates the closed-form plug-in resolution with a tiny leave-one-out certificate: about a dozen fits instead of a full grid sweep, with a consistency guarantee as the sample grows. Across additive and sparse pairwise targets up to 80 input dimensions, KORE matches exhaustive 3-fold cross-validation and the full classical ladder (GCV, Mallows' Cp, AIC, BIC) while fitting roughly 8x fewer models; on 36 real tabular datasets it ranks first among 21 methods in accuracy per unit of compute, ahead of tuned boosters and kernel machines. When complexity lives in low interaction order, solving for the resolution beats searching for it.
Randomized YaRN Improves Length Generalization for Long-Context Reasoning
Large language models (LLMs) are typically pretrained on short sequences and then extended to work on longer sequences with additional training. However, such LLMs still struggle to further generalize to very long sequences. We propose Randomized YaRN, a training method that improves length generalization by combining YaRN-based positional extrapolation with randomized positional encoding and a length curriculum. During training on short context data, tokens are assigned YaRN positional encodings sampled from a larger position range, exposing the model to out-of-distribution positional representations even on short-context inputs. We evaluate Randomized YaRN on two challenging long-context reasoning benchmarks, BABILong and Multi-Round Coreference Resolution (MRCR). When training on data with <8K context, Randomized YaRN consistently improves reasoning performance on context lengths from 16K to 128K and outperforms standard fine-tuning, with the largest gains appearing at far out-of-distribution lengths. Our results suggest that progressively exposing models to OOD positional distributions provides an effective recipe for generalizable long-context reasoning.
Ground Then Rank: Revisiting Knowledge-Based VQA with Training-Free Entity Identification
Knowledge-Based Visual Question Answering (KB-VQA) requires grounding visual queries to external knowledge beyond directly observable content in images. While recent multi modal large language models (MLLMs) show strong perceptual abilities, they struggle on KB-VQA tasks requiring groundings from both fine-grained entity and evidence levels. Most existing multi-modal retrieval augmented generation (MM-RAG) methods tightly couple entity discrimination and section-level evidence ranking into a single re-ranking stage, leading to high cost and limited generalization. In this work, we revisit existing MM-RAG solutions from a workflow perspective and argue both entity-level and fact-level groundings are key bottlenecks. We observe that although MLLMs often fail under open-ended entity naming, they can better identify the correct entity when selecting from a small set of candidate names. Based on this insight, we propose a simple and training-free identify-before-answer IBA framework that decouples entity identification from section-level re-ranking. Our approach prompts an MLLM to select high-confidence entities using only candidate names, followed by an off-the-shelf textual re-ranker for evidence selection. Experiments on Encyclopedic-VQA and InfoSeek show that our method consistently outperforms fine-tuned multi-modal re-ranking baselines while reducing training and inference complexity. Additional analyses reveal that the improvements arise not only from better entity identification, but also from selecting more informative evidence once correct entity is fixed. Our implementation is made public to ease reproducibility.
Safe and Generalizable Hierarchical Multi-Agent RL via Constraint Manifold Control
Multi-agent systems are widely used in safety-critical applications that require coordinated behavior under strict safety constraints. Existing approaches face a fundamental trade-off: learning-based methods achieve strong empirical performance but lack theoretical safety guarantees, while control-theoretic methods enforce safety but often lead to overly conservative and inefficient behaviors. We propose a hierarchical multi-agent reinforcement learning framework that enforces hard safety constraints under mild assumptions at low level via a constraint manifold, while enabling effective coordination through high-level policy learning. Our approach provides theoretical safety guarantees in the multi-agent setting and yields stationary learning dynamics, thereby enabling stable and efficient training. Empirically, our method achieves competitive performance while maintaining nearly perfect safety rates, and generalizes effectively to varying numbers of agents and obstacles.
FlowTrain: Flow-Based Decoupled Training for Industrial-Grade Vision-Language Models
Industrial-grade distributed training of vision-language models (VLMs) remains far less efficient than that of unimodal LLMs. Existing solutions either follow a monolithic design that assigns uniform parallelism to heterogeneous modules or adopt a disaggregated deployment that separates modules while executing them as a batch-synchronized pipeline. In this paper, we highlight that the above solutions are still not sufficient, and VLM training can be further decoupled. To this end, we present FlowTrain, a flow-based decoupled training framework that reformulates VLM training as a producer-consumer dataflow coordinated through a unified memory pool. The encoder and backbone can progress independently over a global virtual address space. Since this execution decoupling fundamentally changes the optimization objective of allocation and scheduling, FlowTrain further introduces a heterogeneous parallel allocator that assigns module-specific parallelism strategies by solving a throughput matching problem. The dynamic packing scheduler is used to construct balanced microbatches at runtime according to the actual LLM-side computation cost. Extensive experiments on real-world workloads show that FlowTrain achieves over 50% MFU and up to 1.7x throughput improvement, narrowing the efficiency gap to LLM-only training.
On the Effect of Segmentation Width and Cluster Size on Speech Resynthesis and Continuation in Generative Spoken Language Models
Generative Spoken Language Modeling (GSLM) enables text-free speech modeling by training language models (LMs) using discrete speech representations instead of textual transcription. In this paper, we investigate the performance of GSLM on speech synthesis and continuation using discrete speech representations with varying bitrates. We segment speech representations with fixed widths and train K-means models in multiple cluster sizes, resulting in various bitrate settings. We demonstrate that intelligible and natural speech can be synthesized at lower bitrate settings than the baseline. Furthermore, speech continuation quality remains stable at lower bitrates across multiple metrics, suggesting that the conventional GSLM setting may be redundant for effective speech generation. Although LLM-based metrics show higher correlation with human subjective score than conventional metrics, it remains low, highlighting the need for more stable automatic evaluation methods.
Mind the Heads: Topological Representation Alignment for Multimodal LLMs
Representation alignment has emerged as an effective approach to improve Multimodal Large Language Models (MLLMs) by regularizing their internal representations toward those of an external vision encoder. However, existing methods typically align a fixed layer of the language backbone, overlooking the fine-grained structure of Transformer models. In this work, we propose Head-Wise Representation Alignment (HeRA), a method that enforces cross-modal alignment at the level of individual attention heads. Our approach is grounded in the Platonic Representation Hypothesis, focusing on preserving the topological structure of representations (i.e., their local neighborhood relationships) across modalities. Following the Mutual K-Nearest Neighbor (MKNN) alignment metric, we introduce a contrastive objective that acts as a differentiable proxy for matching local structures. HeRA applies this objective during multimodal training to specific attention heads in the LLM, selected by their alignment score according to the MKNN metric. Counterintuitively, we find that aligning the least aligned heads yields the largest gains. Extensive evaluations across multiple MLLMs and 18 benchmarks demonstrate that HeRA consistently improves performance on challenging vision-centric tasks and serves as an effective regularizer against visual hallucinations by naturally curbing the over-reliance on linguistic priors. Our code is publicly released.
3D Masked Autoencoders are Robust Learners of Volumetric and Multimodal Cellular Representations for Microscopy
Self-supervised learning in fluorescence microscopy often relies on 2D projections, despite the inherently three-dimensional nature of cells. We present a systematic comparison of 2D and 3D masked autoencoders (MAE-2D vs. MAE-3D) on volumetric microscopy data. Under matched architectures and training protocols, MAE-3D consistently outperforms 2D max-projection and slice-based variants on downstream single-cell tasks. We further align visual representations with a pretrained protein language model (ESM2) and show that cross-modal supervision yields larger gains for volumetric models. Channel cross-attention and frequency-domain regularization are critical for leveraging 3D spatial context. On a protein--protein interaction task, MAE-3D achieves a ROC--AUC of 0.865, outperforming prior methods by up to +0.025. For protein localization, our best 3D model attains state-of-the-art AUC\(_{\text{micro}}\) (0.952) and F1\(_{\text{micro}}\) (0.742), improving over previous approaches by +0.003 and +0.010 absolute, respectively. Overall, these results demonstrate the advantages of native 3D modeling and multimodal alignment for representation learning in single-cell microscopy.
Brain-Adapter: A Dual-Stream Vision-Language MIL Framework for Comprehensive 3D CT Diagnosis of Acute Intracranial Pathologies
Automated diagnosis of 3D brain CT scans is essential for critical care, yet it remains challenging due to the heavy reliance on manual annotations and the limited semantic understanding of conventional models. While 2D foundation vision-language models (VLMs) have shown remarkable generalization, effectively transferring their representational power to 3D volumes remains an open problem. In this paper, we propose Brain-Adapter, a novel dual-stream multiple instance learning (MIL) framework that leverages pre-trained 2D biomedical VLMs and raw diagnostic reports for robust scan-level multi-label classification. Specifically, we introduce a Text-Conditioned Attention (TCA) mechanism, utilizing raw diagnostic sentences as semantic queries to dynamically align visual cues with specific disease concepts. Concurrently, a parallel visual MIL stream captures global scan characteristics, supervised by structured labels extracted via a Large Language Model (LLM). To ensure representation coherence, a consistency constraint enforces synergy between the two streams. During inference, an Uncertainty-Aware Refinement (UAR) module dynamically calibrates and fuses these dual-stream predictions to resolve ambiguous cases. Extensive experiments demonstrate that our method significantly outperforms state-of-the-art 3D models and standard MIL approaches. By eliminating the reliance on dense annotations, Brain-Adapter provides a highly scalable and clinically viable solution for 3D acute intracranial pathology analysis.