Daily Papers

On-policy distillation (OPD) has emerged as an efficient post-training paradigm for large language models. However, existing studies largely attribute this advantage to denser and more stable supervision, while the parameter-level mechanisms underlying OPD's efficiency remain poorly understood. In this work, we argue that OPD's efficiency stems from a form of ``foresight'': it establishes a stable update trajectory toward the final model early in training. This foresight manifests in two aspects. First, at the Module-Allocation Level, OPD identifies regions with low marginal utility and concentrates updates on modules that are more critical to reasoning. Second, at the Update-Direction Level, OPD exhibits stronger low-rank concentration, with its dominant subspaces aligning closely with the final update subspace early in training. Building on these findings, we propose EffOPD, a plug-and-play acceleration method that speeds up OPD by adaptively selecting an extrapolation step size and moving along the current update direction. EffOPD requires no additional trainable modules or complex hyperparameter tuning, and achieves an average training acceleration of 3times while maintaining comparable final performance. Overall, our findings provide a parameter-dynamics perspective for understanding the efficiency of OPD and offer practical insights for designing more efficient post-training methods for large language models.

We introduce Step 3.5 Flash, a sparse Mixture-of-Experts (MoE) model that bridges frontier-level agentic intelligence and computational efficiency. We focus on what matters most when building agents: sharp reasoning and fast, reliable execution. Step 3.5 Flash pairs a 196B-parameter foundation with 11B active parameters for efficient inference. It is optimized with interleaved 3:1 sliding-window/full attention and Multi-Token Prediction (MTP-3) to reduce the latency and cost of multi-round agentic interactions. To reach frontier-level intelligence, we design a scalable reinforcement learning framework that combines verifiable signals with preference feedback, while remaining stable under large-scale off-policy training, enabling consistent self-improvement across mathematics, code, and tool use. Step 3.5 Flash demonstrates strong performance across agent, coding, and math tasks, achieving 85.4% on IMO-AnswerBench, 86.4% on LiveCodeBench-v6 (2024.08-2025.05), 88.2% on tau2-Bench, 69.0% on BrowseComp (with context management), and 51.0% on Terminal-Bench 2.0, comparable to frontier models such as GPT-5.2 xHigh and Gemini 3.0 Pro. By redefining the efficiency frontier, Step 3.5 Flash provides a high-density foundation for deploying sophisticated agents in real-world industrial environments.

We present an efficient encoder-free approach for video-language understanding that achieves competitive performance while significantly reducing computational overhead. Current video-language models typically rely on heavyweight image encoders (300M-1.1B parameters) or video encoders (1B-1.4B parameters), creating a substantial computational burden when processing multi-frame videos. Our method introduces a novel Spatio-Temporal Alignment Block (STAB) that directly processes video inputs without requiring pre-trained encoders while using only 45M parameters for visual processing - at least a 6.5times reduction compared to traditional approaches. The STAB architecture combines Local Spatio-Temporal Encoding for fine-grained feature extraction, efficient spatial downsampling through learned attention and separate mechanisms for modeling frame-level and video-level relationships. Our model achieves comparable or superior performance to encoder-based approaches for open-ended video question answering on standard benchmarks. The fine-grained video question-answering evaluation demonstrates our model's effectiveness, outperforming the encoder-based approaches Video-ChatGPT and Video-LLaVA in key aspects like correctness and temporal understanding. Extensive ablation studies validate our architectural choices and demonstrate the effectiveness of our spatio-temporal modeling approach while achieving 3-4times faster processing speeds than previous methods. Code is available at https://github.com/jh-yi/Video-Panda.

This work explores whether a deep generative model can learn complex knowledge solely from visual input, in contrast to the prevalent focus on text-based models like large language models (LLMs). We develop VideoWorld, an auto-regressive video generation model trained on unlabeled video data, and test its knowledge acquisition abilities in video-based Go and robotic control tasks. Our experiments reveal two key findings: (1) video-only training provides sufficient information for learning knowledge, including rules, reasoning and planning capabilities, and (2) the representation of visual change is crucial for knowledge acquisition. To improve both the efficiency and efficacy of this process, we introduce the Latent Dynamics Model (LDM) as a key component of VideoWorld. Remarkably, VideoWorld reaches a 5-dan professional level in the Video-GoBench with just a 300-million-parameter model, without relying on search algorithms or reward mechanisms typical in reinforcement learning. In robotic tasks, VideoWorld effectively learns diverse control operations and generalizes across environments, approaching the performance of oracle models in CALVIN and RLBench. This study opens new avenues for knowledge acquisition from visual data, with all code, data, and models open-sourced for further research.

If autoresearch is itself a form of research, then autoresearch can be applied to research itself. We present Bilevel Autoresearch, a bilevel framework in which an outer autoresearch loop improves an inner autoresearch loop by reading its code and traces, identifying bottlenecks, and generating injectable Python search mechanisms at runtime. The inner loop optimizes task performance; the outer loop optimizes how the inner loop searches. Both loops use the same LLM, so improvements come from the bilevel architecture rather than a stronger meta-level model, although the outer loop consumes additional inference and wall-clock budget. On Karpathy's GPT pretraining benchmark, the meta-autoresearch outer loop achieves a 5x improvement over the standard inner loop alone (-0.045 vs. -0.009 val_bpb), while parameter-level adjustment without mechanism change yields no reliable gain. The outer loop instantiates mechanisms from adjacent search domains, including combinatorial optimization, multi-armed bandits, and design of experiments, without human specification of the final mechanism design. Trace analysis suggests that these mechanisms break deterministic search patterns and force exploration of directions the LLM's priors avoid. The experiments demonstrate, on this benchmark, a first bilevel step: an outer loop improves the search behavior of an inner loop. Code is the mechanism carrier in this implementation, but skills, prompts, workflows, evaluators, domain principles, world-model assumptions, and memory schemas can also encode mechanisms that shape future agent behavior. This suggests a path toward recursive bootstrapping, where mechanisms discovered for the inner loop can be fed back to improve the meta-level loop itself.

Parameter-efficient fine-tuning (PEFT) aims to adapt pre-trained vision models to downstream tasks. Among PEFT paradigms, sparse tuning achieves remarkable performance by adjusting only the weights most relevant to downstream tasks, rather than densely tuning the entire weight matrix. Current methods follow a two-stage paradigm. First, it locates task-relevant weights by gradient information, which overlooks the parameter adjustments during fine-tuning and limits the performance. Second, it updates only the located weights by applying a sparse mask to the gradient of the weight matrix, which results in high memory usage due to the storage of all weight matrices in the optimizer. In this paper, we propose a one-stage method named SNELLA to overcome the above limitations. For memory usage, SNELLA selectively updates the weight matrix by adding it to another sparse matrix that is merged by two low-rank learnable matrices. We extend the low-rank decomposition by introducing nonlinear kernel functions, thereby increasing the rank of the resulting merged matrix to prevent the interdependency among weight updates, enabling better adaptation to downstream tasks. For locating task-relevant weights, we propose an adaptive bi-level sparsity allocation mechanism that encourages weights to compete across and inside layers based on their importance scores in an end-to-end manner. Extensive experiments are conducted on classification, segmentation, and generation tasks using different pre-trained vision models. The results show that SNELLA achieves SOTA performance with low memory usage. Notably, SNELLA obtains 1.8% (91.9% v.s. 90.1%) higher Top-1 accuracy on the FGVC benchmark compared to SPT-LoRA. Compared to previous methods, SNELLA achieves a memory reduction of 31.1%-39.9% across models with parameter scales from 86M to 632M. Our source codes are available at https://github.com/ssfgunner/SNELL.

Aligned LLMs are secure, capable of recognizing and refusing to answer malicious questions. However, the role of internal parameters in maintaining such security is not well understood yet, further these models can be vulnerable to security degradation when subjected to fine-tuning attacks. To address these challenges, our work uncovers the mechanism behind security in aligned LLMs at the parameter level, identifying a small set of contiguous layers in the middle of the model that are crucial for distinguishing malicious queries from normal ones, referred to as ``safety layers". We first confirm the existence of these safety layers by analyzing variations in input vectors within the model's internal layers. Additionally, we leverage the over-rejection phenomenon and parameters scaling analysis to precisely locate the safety layers. Building on these findings, we propose a novel fine-tuning approach, Safely Partial-Parameter Fine-Tuning (SPPFT), that fixes the gradient of the safety layers during fine-tuning to address the security degradation. Our experiments demonstrate that the proposed approach can significantly preserve LLM security while maintaining performance and reducing computational resources compared to full fine-tuning.

Parameter-efficient finetuning (PEFT) is a widely used technique to adapt large language models for different tasks. Service providers typically create separate systems for users to perform PEFT model finetuning and inference tasks. This is because existing systems cannot handle workloads that include a mix of inference and PEFT finetuning requests. As a result, shared GPU resources are underutilized, leading to inefficiencies. To address this problem, we present FlexLLM, the first system that can serve inference and parameter-efficient finetuning requests in the same iteration. Our system leverages the complementary nature of these two tasks and utilizes shared GPU resources to run them jointly, using a method called co-serving. To achieve this, FlexLLM introduces a novel token-level finetuning mechanism, which breaks down the finetuning computation of a sequence into smaller token-level computations and uses dependent parallelization and graph pruning, two static compilation optimizations, to minimize the memory overhead and latency for co-serving. Compared to existing systems, FlexLLM's co-serving approach reduces the activation GPU memory overhead by up to 8x, and the end-to-end GPU memory requirement of finetuning by up to 36% while maintaining a low inference latency and improving finetuning throughput. For example, under a heavy inference workload, FlexLLM can still preserve more than 80% of the peak finetuning throughput, whereas existing systems cannot make any progress with finetuning. The source code of FlexLLM is publicly available at https://github.com/flexflow/FlexFlow.

Few-shot continual learning (FSCL) has attracted intensive attention and achieved some advances in recent years, but now it is difficult to again make a big stride in accuracy due to the limitation of only few-shot incremental samples. Inspired by distinctive human cognition ability in life learning, in this work, we propose a novel Big-model driven Few-shot Continual Learning (B-FSCL) framework to gradually evolve the model under the traction of the world's big-models (like human accumulative knowledge). Specifically, we perform the big-model driven transfer learning to leverage the powerful encoding capability of these existing big-models, which can adapt the continual model to a few of newly added samples while avoiding the over-fitting problem. Considering that the big-model and the continual model may have different perceived results for the identical images, we introduce an instance-level adaptive decision mechanism to provide the high-level flexibility cognitive support adjusted to varying samples. In turn, the adaptive decision can be further adopted to optimize the parameters of the continual model, performing the adaptive distillation of big-model's knowledge information. Experimental results of our proposed B-FSCL on three popular datasets (including CIFAR100, minilmageNet and CUB200) completely surpass all state-of-the-art FSCL methods.

Safety alignment of Large Language Models (LLMs) is extremely fragile, as fine-tuning on a small number of benign samples can erase safety behaviors learned from millions of preference examples. Existing studies attempt to explain this phenomenon by comparing parameters and hidden states before and after fine-tuning, but overlook their dynamic evolution during fine-tuning. In this paper, we uncover a critical mechanism underlying safety degradation by analyzing parameter dynamics, where benign fine-tuning causes parameters to cumulatively drift toward danger-aligned directions, progressively undermining the model's safety. This finding suggests that samples contributing more to this drift has greater fine-tuning risks. Based on this insight, we propose a method of Sample-Level Quantification of Safety Degradation (SQSD), which quantifies the influence of each training sample on safety degradation. Specifically, SQSD computes continuous risk scores to samples by measuring their induced parameter updates' projection difference between danger and safety directions. Extensive experiments across multiple models and datasets demonstrate that SQSD effectively quantifies sample-level fine-tuning risks and exhibits strong transferability across model architectures, parameter scales, and parameter-efficient methods.

In-Context Learning (ICL) technique based on Large Language Models (LLMs) has gained prominence in Named Entity Recognition (NER) tasks for its lower computing resource consumption, less manual labeling overhead, and stronger generalizability. Nevertheless, most ICL-based NER methods depend on large-parameter LLMs: the open-source models demand substantial computational resources for deployment and inference, while the closed-source ones incur high API costs, raise data-privacy concerns, and hinder community collaboration. To address this question, we propose an Ensemble Learning Method for Named Entity Recognition (EL4NER), which aims at aggregating the ICL outputs of multiple open-source, small-parameter LLMs to enhance overall performance in NER tasks at less deployment and inference cost. Specifically, our method comprises three key components. First, we design a task decomposition-based pipeline that facilitates deep, multi-stage ensemble learning. Second, we introduce a novel span-level sentence similarity algorithm to establish an ICL demonstration retrieval mechanism better suited for NER tasks. Third, we incorporate a self-validation mechanism to mitigate the noise introduced during the ensemble process. We evaluated EL4NER on multiple widely adopted NER datasets from diverse domains. Our experimental results indicate that EL4NER surpasses most closed-source, large-parameter LLM-based methods at a lower parameter cost and even attains state-of-the-art (SOTA) performance among ICL-based methods on certain datasets. These results show the parameter efficiency of EL4NER and underscore the feasibility of employing open-source, small-parameter LLMs within the ICL paradigm for NER tasks.

The linear growth of key-value (KV) cache memory and quadratic computational complexity pose significant bottlenecks for large language models (LLMs) in long-context processing. While existing KV cache optimization methods address these challenges through token pruning or feature merging, they often suffer from irreversible information loss or require costly parameter retraining. We propose ZeroMerge, a dynamic zero-shot compression framework that achieves efficient cache management through three key innovations: (1) Fine-grained memory allocation guided by multi-dimensional token importance metrics at head-level granularity, (2) A residual merging mechanism that preserves critical context through compensated attention scoring, and (3) Parameter-free adaptation compatible with diverse LLM architectures without retraining. Comprehensive evaluations across LLaMA-2 model demonstrate that ZeroMerge maintains full-cache performance at 5\% compression ratios while doubling inference throughput at 40K token lengths. The method effectively balances memory efficiency, generation quality, and deployment flexibility, advancing practical long-context LLM applications. The code is available at https://github.com/SusCom-Lab/ZeroMerge.

The discovery of the lazy neuron phenomenon in trained Transformers, where the vast majority of neurons in their feed-forward networks (FFN) are inactive for each token, has spurred tremendous interests in activation sparsity for enhancing large model efficiency. While notable progress has been made in translating such sparsity to wall-time benefits, modern Transformers have moved away from the ReLU activation function crucial to this phenomenon. Existing efforts on re-introducing activation sparsity often degrade model quality, increase parameter count, complicate or slow down training. Sparse attention, the application of sparse activation to the attention mechanism, often faces similar challenges. This paper introduces the Spark Transformer, a novel architecture that achieves a high level of activation sparsity in both FFN and the attention mechanism while maintaining model quality, parameter count, and standard training procedures. Our method realizes sparsity via top-k masking for explicit control over sparsity level. Crucially, we introduce statistical top-k, a hardware-accelerator-friendly, linear-time approximate algorithm that avoids costly sorting and mitigates significant training slowdown from standard top-k operators. Furthermore, Spark Transformer reallocates existing FFN parameters and attention key embeddings to form a low-cost predictor for identifying activated entries. This design not only mitigates quality loss from enforced sparsity, but also enhances wall-time benefit. Pretrained with the Gemma-2 recipe, Spark Transformer demonstrates competitive performance on standard benchmarks while exhibiting significant sparsity: only 8% of FFN neurons are activated, and each token attends to a maximum of 256 tokens. This sparsity translates to a 2.5x reduction in FLOPs, leading to decoding wall-time speedups of up to 1.79x on CPU and 1.40x on GPU.

Large language models (LLMs) have demonstrated remarkable capabilities across a wide range of natural language processing tasks. Exploiting the heterogeneous capabilities of edge LLMs is crucial for diverse emerging applications, as it enables greater cost-effectiveness and reduced latency. In this work, we introduce Mixture-of-Edge-Experts (MoE^2), a novel collaborative inference framework for edge LLMs. We formulate the joint gating and expert selection problem to optimize inference performance under energy and latency constraints. Unlike conventional MoE problems, LLM expert selection is significantly more challenging due to the combinatorial nature and the heterogeneity of edge LLMs across various attributes. To this end, we propose a two-level expert selection mechanism through which we uncover an optimality-preserving property of gating parameters across expert selections. This property enables the decomposition of the training and selection processes, significantly reducing complexity. Furthermore, we leverage the objective's monotonicity and design a discrete monotonic optimization algorithm for optimal expert selection. We implement edge servers with NVIDIA Jetson AGX Orins and NVIDIA RTX 4090 GPUs, and perform extensive experiments. Our results validate that performance improvements of various LLM models and show that our MoE^2 method can achieve optimal trade-offs among different delay and energy budgets, and outperforms baselines under various system resource constraints.

We present Universal Conditional Logic (UCL), a mathematical framework for prompt optimization that transforms prompt engineering from heuristic practice into systematic optimization. Through systematic evaluation (N=305, 11 models, 4 iterations), we demonstrate significant token reduction (29.8%, t(10)=6.36, p < 0.001, Cohen's d = 2.01) with corresponding cost savings. UCL's structural overhead function O_s(A) explains version-specific performance differences through the Over-Specification Paradox: beyond threshold S* = 0.509, additional specification degrades performance quadratically. Core mechanisms -- indicator functions (I_i in {0,1}), structural overhead (O_s = gamma * sum(ln C_k)), early binding -- are validated. Notably, optimal UCL configuration varies by model architecture -- certain models (e.g., Llama 4 Scout) require version-specific adaptations (V4.1). This work establishes UCL as a calibratable framework for efficient LLM interaction, with model-family-specific optimization as a key research direction.

Can reinforcement learning with hard, verifiable rewards teach a compact language model to reason about physics, or does it primarily learn to pattern-match toward correct answers? We study this question by training a 1.5B-parameter reasoning model on beam statics, a classic engineering problem, using parameter-efficient RLVR with binary correctness rewards from symbolic solvers, without teacher-generated reasoning traces. The best BeamPERL checkpoint achieves a 66.7% improvement in Pass@1 over the base model. However, the learned competence is anisotropic: the model generalizes compositionally (more loads) but fails under topological shifts (moved supports) that require the same equilibrium equations. Intermediate checkpoints yield the strongest reasoning, while continued optimization degrades robustness while maintaining reward. These findings reveal a key limitation of outcome-level alignment: reinforcement learning with exact physics rewards induces procedural solution templates rather than internalization of governing equations. The precision of the reward signal - even when analytically exact - does not by itself guarantee transferable physical reasoning. Our results suggest that verifiable rewards may need to be paired with structured reasoning scaffolding to move beyond template matching toward robust scientific reasoning.

Recent advancements in diffusion models have significantly advanced text-to-image generation, yet global text prompts alone remain insufficient for achieving fine-grained control over individual entities within an image. To address this limitation, we present EliGen, a novel framework for Entity-Level controlled Image Generation. We introduce regional attention, a mechanism for diffusion transformers that requires no additional parameters, seamlessly integrating entity prompts and arbitrary-shaped spatial masks. By contributing a high-quality dataset with fine-grained spatial and semantic entity-level annotations, we train EliGen to achieve robust and accurate entity-level manipulation, surpassing existing methods in both positional control precision and image quality. Additionally, we propose an inpainting fusion pipeline, extending EliGen to multi-entity image inpainting tasks. We further demonstrate its flexibility by integrating it with community models such as IP-Adapter and MLLM, unlocking new creative possibilities. The source code, dataset, and model will be released publicly.

Large language models (LLMs) are increasingly deployed in settings that require nuanced ethical reasoning, yet existing bias evaluations treat model outputs as simply "biased" or "unbiased." This binary framing misses the gradual, context-sensitive way bias actually emerges. We address this gap in two stages: behavioral profiling and mechanistic validation. In the behavioral stage, we introduce the Moral Sensitivity Index (MSI), a metric that quantifies the probability of biased output across a graduated, seven-tier stress test ranging from abstract numerical problems to scenarios rooted in historical and socioeconomic injustice. Evaluating four leading models (Claude 3.5, Qwen 3.5, Llama 3, and Gemini 1.5), we identify distinct behavioral signatures shaped by alignment design: for instance, Gemini 1.5 reaches 72.7% MSI by Tier 5 under socioeconomic framing, while Claude exhibits sharp suppression consistent with identity-based safety training. We then verify these behavioral patterns mechanistically. We select criminal-bias scenarios, which produced the highest MSI scores across models, as probes and apply logit lens, attention analysis, activation patching, and semantic probing to a controlled set of six models spanning three capability tiers: small language models (SLMs), instruction-tuned base models, and reasoning-distilled variants. Circuit-level analysis reveals a U-curve of bias: SLMs exhibit strong criminal bias; scaling to instruction-tuned models eliminates it; reasoning distillation reintroduces bias to SLM-like levels despite identical parameter counts, suggesting distillation compresses reasoning traces in ways that reactivate shallow statistical associations. Critically, the socially loaded cues that drive high MSI scores activate the same bias-driving circuits identified mechanistically, providing cross-stage validation.

Aligned Large Language Models (LLMs) showcase remarkable versatility, capable of handling diverse real-world tasks. Meanwhile, aligned LLMs are also expected to exhibit speciality, excelling in specific applications. However, fine-tuning with extra data, a common practice to gain speciality, often leads to catastrophic forgetting (CF) of previously acquired versatility, hindering the model's performance across diverse tasks. In response to this challenge, we propose CoFiTune, a coarse to fine framework in an attempt to strike the balance between speciality and versatility. At the coarse-grained level, an empirical tree-search algorithm is utilized to pinpoint and update specific modules that are crucial for speciality, while keeping other parameters frozen; at the fine-grained level, a soft-masking mechanism regulates the update to the LLMs, mitigating the CF issue without harming speciality. In an overall evaluation of both speciality and versatility, CoFiTune consistently outperforms baseline methods across diverse tasks and model scales. Compared to the full-parameter SFT, CoFiTune leads to about 14% versatility improvement and marginal speciality loss on a 13B model. Lastly, based on further analysis, we provide a speculative insight into the information forwarding process in LLMs, which helps explain the effectiveness of the proposed method. The code is available at https://github.com/rattlesnakey/CoFiTune.

Memory, planning, reflection, and tool use are often compared as feature labels, obscuring the control semantics that determine how an agent actually runs. This review connects ten historical cognitive architectures, eight language-agent runtime families, and forty-two mechanism-focused modern systems. We reconstruct each mechanism through state, control, transition, persistence, failure, learning, and resource governance, then code evidence relation (E1-E4) separately from migration depth (D0-D4). The resulting landscape is uneven. Modern agents have operationalized substantial parts of adaptive memory, failure recovery, dynamic team selection, workflow search, skill induction, resource scheduling, and uncertainty-conditioned action, although often through independent convergence rather than documented inheritance. The strongest remaining opportunities lie in couplings among mechanisms. Closest-baseline screening closes one proposed gap: GraSP already combines calibrated multi-skill selection, typed compilation, verification, bounded repair, and replanning or ReAct fallback. Five residual bundles remain: activation with latency and action utility; typed impasse with isolated substates and resolution compilation; bounded content competition with broadcast and admission learning; persistent intention with reconsideration and live method authority; and uncertainty with resource allocation, interruption, and stopping. We contribute a distinctive-mechanism catalog, an auditable evidence-depth framework, and a falsifiable agenda for testing these bundles as composable runtime invariants.

Personality manipulation in large language models (LLMs) is increasingly applied in customer service and agentic scenarios, yet its mechanisms and trade-offs remain unclear. We present a systematic study of personality control using the Big Five traits, comparing in-context learning (ICL), parameter-efficient fine-tuning (PEFT), and mechanistic steering (MS). Our contributions are fourfold. First, we construct a contrastive dataset with balanced high/low trait responses, enabling effective steering vector computation and fair cross-method evaluation. Second, we introduce a unified evaluation framework based on within-run Delta analysis that disentangles, reasoning capability, agent performance, and demographic bias across MMLU, GAIA, and BBQ benchmarks. Third, we develop trait purification techniques to separate openness from conscientiousness, addressing representational overlap in trait encoding. Fourth, we propose a three-level stability framework that quantifies method-, trait-, and combination-level robustness, offering practical guidance under deployment constraints. Experiments on Gemma-2-2B-IT and LLaMA-3-8B-Instruct reveal clear trade-offs: ICL achieves strong alignment with minimal capability loss, PEFT delivers the highest alignment at the cost of degraded task performance, and MS provides lightweight runtime control with competitive effectiveness. Trait-level analysis shows openness as uniquely challenging, agreeableness as most resistant to ICL, and personality encoding consolidating around intermediate layers. Taken together, these results establish personality manipulation as a multi-level probe into behavioral representation, linking surface conditioning, parameter encoding, and activation-level steering, and positioning mechanistic steering as a lightweight alternative to fine-tuning for both deployment and interpretability.

Language Agent could be endowed with different mechanisms for autonomous task accomplishment. Current agents typically rely on fixed mechanisms or a set of mechanisms activated in a predefined order, limiting their adaptation to varied potential task solution structures. To this end, this paper proposes Adaptive Language Agent Mechanism Activation Learning with Self-Exploration (ALAMA), which focuses on optimizing mechanism activation adaptability without reliance on expert models. Initially, it builds a harmonized agent framework (UniAct) to Unify different mechanisms via Actions. Then it leverages a training-efficient optimization method based on self-exploration to enable the UniAct to adaptively activate the appropriate mechanisms according to the potential characteristics of the task. Experimental results demonstrate significant improvements in downstream agent tasks, affirming the effectiveness of our approach in facilitating more dynamic and context-sensitive mechanism activation.

We study the impact on mechanisms for facility location of moving from one dimension to two (or more) dimensions and Euclidean or Manhattan distances. We consider three fundamental axiomatic properties: anonymity which is a basic fairness property, Pareto optimality which is one of the most important efficiency properties, and strategy proofness which ensures agents do not have an incentive to mis-report. We also consider how well such mechanisms can approximate the optimal welfare. Our results are somewhat negative. Moving from one dimension to two (or more) dimensions often makes these axiomatic properties more difficult to achieve. For example, with two facilities in Euclidean space or with just a single facility in Manhattan space, no mechanism is anonymous, Pareto optimal and strategy proof. By contrast, mechanisms on the line exist with all three properties.We also show that approximation ratios may increase when moving to two (or more) dimensions. All our impossibility results are minimal. If we drop one of the three axioms (anonymity, Pareto optimality or strategy proofness) multiple mechanisms satisfy the other two axioms.

RL post-training strategies are dataset-dependent and reveal a recurring empirical pattern: capacity parameters accumulate monotonically across stages, while regularization parameters predominantly oscillate in response to shifting training dynamics. This distinction matters because fixed schedules commit all parameters to fixed trajectories and therefore cannot express the non-stationary exploration-exploitation tradeoffs that regularization must track; the principle provides actionable design rules for multi-stage training. We discover this through LLMZero, a system where LLM agents search over training trajectories via tree search, diagnosing pathologies at each checkpoint and proposing coordinated multi-parameter transitions. Across 4 diverse GRPO tasks, LLMZero discovers strategies that improve over the base model by 9% to 140% relative and over grid search by 6% to 15% relative, consistently outperforming random search and the skill-based agent. The structural principle transfers across tasks, providing an explanation for why discovered strategies take qualitatively different forms yet share similar parameter dynamics.

Large language models (LLMs) have demonstrated remarkable capabilities in function calling for autonomous agents, yet current mechanisms lack explicit reasoning transparency during parameter generation, particularly for complex functions with interdependent parameters. While existing approaches like chain-of-thought prompting operate at the agent level, they fail to provide fine-grained reasoning guidance for individual function parameters. To address these limitations, we propose Think-Augmented Function Calling (TAFC), a novel framework that enhances function calling accuracy through explicit reasoning at both function and parameter levels. Our method introduces a universal "think" parameter augmentation that enables models to articulate their decision-making process, with dynamic optimization for parameter descriptions to improve reasoning quality. For complex parameters, TAFC automatically triggers granular reasoning based on complexity scoring, ensuring appropriate justification for critical decisions. Additionally, we propose reasoning-guided optimization to align generated reasoning with human expectations. TAFC requires no architectural modifications to existing LLMs while maintaining full API compatibility. Evaluation on ToolBench across proprietary and open-source models demonstrates significant improvements in parameter generation accuracy and reasoning coherence for multi-parameter functions, while providing enhanced interpretability for debugging AI agent behaviors.

Organizations typically train large models individually. This is costly and time-consuming, particularly for large-scale foundation models. Such vertical production is known to be suboptimal. Inspired by this economic insight, we ask whether it is possible to leverage others' expertise by trading the constituent parts in models, i.e., sets of weights, as if they were market commodities. While recent advances in aligning and interpolating models suggest that doing so may be possible, a number of fundamental questions must be answered to create viable parameter markets. In this work, we address these basic questions, propose a framework containing the infrastructure necessary for market operations to take place, study strategies for exchanging parameters, and offer means for agents to monetize parameters. Excitingly, compared to agents who train siloed models from scratch, we show that it is possible to mutually gain by using the market, even in competitive settings. This suggests that the notion of parameter markets may be a useful paradigm for improving large-scale model training in the future.

Randomized mechanisms can have good normative properties compared to their deterministic counterparts. However, randomized mechanisms are problematic in several ways such as in their verifiability. We propose here to derandomize such mechanisms by having agents play a game instead of tossing a coin. The game is designed so an agent's best action is to play randomly, and this play then injects ``randomness'' into the mechanism. This derandomization retains many of the good normative properties of the original randomized mechanism but gives a mechanism that is deterministic and easy, for instance, to audit. We consider three related methods to derandomize randomized mechanism in six different domains: voting, facility location, task allocation, school choice, peer selection, and resource allocation. We propose a number of novel derandomized mechanisms for these six domains with good normative properties. Each mechanism has a mixed Nash equilibrium in which agents play a modular arithmetic game with an uniform mixed strategy. In all but one mixed Nash equilibrium, agents report their preferences over the original problem sincerely. The derandomized methods are thus ``quasi-strategy proof''. In one domain, we additionally show that a new and desirable normative property emerges as a result of derandomization.

Agent Skills package reusable procedural knowledge as external artifacts for frozen language-model agents, yet existing optimizers do not jointly resolve where a failure occurs in a workflow, which mechanism caused it, and how relevant knowledge from third-party Skills should be reused locally. We introduce Workflow-Localized Mechanism Learning (WML). Its Node--Mechanism Attribution identifies the failed workflow node, implicated mechanisms, and smallest valid edit target, routing single-mechanism defects to L3 resources and relational defects across mechanisms to L2 composition protocols. A six-module Workflow-Guided Skill Optimization (WGSO) loop then selects provenance- and scope-aware third-party knowledge, applies bounded patches, evaluates candidates, and stores verified outcomes in optimizer-side memory. On SpreadsheetBench, WML reaches 90.33 +/- 1.53 and 74.67 +/- 3.51 Hard Accuracy with DeepSeek and Qwen3.6-Flash, respectively; without additional optimization, the learned Skills transfer to WikiTableQuestions with 84.00 +/- 2.00 and 83.00 +/- 2.00 Denotation Accuracy. On Compiler-Supported50, WML attains both the highest hard-PASS rate and the lowest cost per successful task; compiled execution sharply reduces tokens and calls relative to a direct SkillAgent while retaining most of its successful tasks. Code and artifacts are available at https://github.com/xiaolin9595/workflow-localized-mechanism-learning.

Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large language models (LLMs) have shown promise in understanding chemical tasks such as synthesis design, it is unclear to what extent this reflects genuine chemical reasoning capabilities, i.e., the ability to generate valid intermediates, maintain chemical consistency, and follow logically coherent multi-step pathways. We address this by introducing oMeBench, the first large-scale, expert-curated benchmark for organic mechanism reasoning in organic chemistry. It comprises over 10,000 annotated mechanistic steps with intermediates, type labels, and difficulty ratings. Furthermore, to evaluate LLM capability more precisely and enable fine-grained scoring, we propose oMeS, a dynamic evaluation framework that combines step-level logic and chemical similarity. We analyze the performance of state-of-the-art LLMs, and our results show that although current models display promising chemical intuition, they struggle with correct and consistent multi-step reasoning. Notably, we find that using prompting strategy and fine-tuning a specialist model on our proposed dataset increases performance by 50% over the leading closed-source model. We hope that oMeBench will serve as a rigorous foundation for advancing AI systems toward genuine chemical reasoning.

A wide range of optimization problems can often be written in terms of generalized convex functions (GCFs). When this structure is present, it can convert certain nested bilevel objectives into single-level problems amenable to standard first-order optimization methods. We provide a new differentiable layer with a convex parameter space and show (Theorems 5.1 and 5.2) that it and its gradient are universal approximators for GCFs and their gradients. We demonstrate how this parameterization can be leveraged in practice by (i) learning optimal transport maps with general cost functions and (ii) learning optimal auctions of multiple goods. In both these cases, we show how our layer can be used to convert the existing bilevel or min-max formulations into single-level problems that can be solved efficiently with first-order methods.

A major barrier to deploying current machine learning models lies in their non-reliability to dataset shifts. To resolve this problem, most existing studies attempted to transfer stable information to unseen environments. Particularly, independent causal mechanisms-based methods proposed to remove mutable causal mechanisms via the do-operator. Compared to previous methods, the obtained stable predictors are more effective in identifying stable information. However, a key question remains: which subset of this whole stable information should the model transfer, in order to achieve optimal generalization ability? To answer this question, we present a comprehensive minimax analysis from a causal perspective. Specifically, we first provide a graphical condition for the whole stable set to be optimal. When this condition fails, we surprisingly find with an example that this whole stable set, although can fully exploit stable information, is not the optimal one to transfer. To identify the optimal subset under this case, we propose to estimate the worst-case risk with a novel optimization scheme over the intervention functions on mutable causal mechanisms. We then propose an efficient algorithm to search for the subset with minimal worst-case risk, based on a newly defined equivalence relation between stable subsets. Compared to the exponential cost of exhaustively searching over all subsets, our searching strategy enjoys a polynomial complexity. The effectiveness and efficiency of our methods are demonstrated on synthetic data and the diagnosis of Alzheimer's disease.

Large language models still struggle with contest-level programming, while many agentic remedies rely on massive inference-time sampling or expensive multi-stage post-training. We study when execution feedback reliably helps an LLM CP solver and which mechanisms govern the gains. We model feedback-driven solving as a calibrated stopped process and identify three quantities: false-admission risk, program-level evidence against bad programs, and the active-state success hazard. Under held-out trace calibration and selection from a pre-declared finite controller manifest, the resulting structural certificate lower-bounds the clean success probability before false admission. We instantiate mechanisms targeting these quantities as Dual-Granularity Verification, Test Augmentation, and Experience-Driven Self-Evolving, yielding CP-Agent. Without updating any parameters, CP-Agent raises Pass@1 from 25.8\% to 48.5\% on LiveCodeBench Pro and improves Refine@5 by 11.0\% on ICPC-Eval. Across three LLM backbones, CP-Agent lies on the cost--accuracy efficiency frontier, and ablations show that each component primarily affects its corresponding certificate quantity.

Temporal causal representation learning methods assume that causal mechanisms switch instantaneously between discrete domains, yet real-world systems often exhibit continuous mechanism transitions. For example, a vehicle's dynamics evolve gradually through a turning maneuver, and human gait shifts smoothly from walking to running. We formalize this setting by modeling transitional mechanisms as convex combinations of finitely many atomic mechanisms, governed by time-varying mixing coefficients. Our theoretical contributions establish that both the latent causal variables and the continuous mixing trajectory are jointly identifiable. We further propose TRACE, a Mixture-of-Experts framework where each expert learns one atomic mechanism during training, enabling recovery of mechanism trajectories at test time. This formulation generalizes to intermediate mechanism states never observed during training. Experiments on synthetic and real-world data demonstrate that TRACE recovers mixing trajectories with up to 0.99 correlation, substantially outperforming discrete-switching baselines.

We propose a novel parameterized skill-learning algorithm that aims to learn transferable parameterized skills and synthesize them into a new action space that supports efficient learning in long-horizon tasks. We propose to leverage off-policy Meta-RL combined with a trajectory-centric smoothness term to learn a set of parameterized skills. Our agent can use these learned skills to construct a three-level hierarchical framework that models a Temporally-extended Parameterized Action Markov Decision Process. We empirically demonstrate that the proposed algorithms enable an agent to solve a set of difficult long-horizon (obstacle-course and robot manipulation) tasks.

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

Understanding how Large Language Models (LLMs) perform logical reasoning internally remains a fundamental challenge. While prior mechanistic studies focus on identifying taskspecific circuits, they leave open the question of what computational strategies LLMs employ for propositional reasoning. We address this gap through comprehensive analysis of Qwen3 (8B and 14B) on PropLogic-MI, a controlled dataset spanning 11 propositional logic rule categories across one-hop and two-hop reasoning. Rather than asking ''which components are necessary,'' we ask ''how does the model organize computation?'' Our analysis reveals a coherent computational architecture comprising four interlocking mechanisms: Staged Computation (layer-wise processing phases), Information Transmission (information flow aggregation at boundary tokens), Fact Retrospection (persistent re-access of source facts), and Specialized Attention Heads (functionally distinct head types). These mechanisms generalize across model scales, rule types, and reasoning depths, providing mechanistic evidence that LLMs employ structured computational strategies for logical reasoning.

We study compute efficiency of LLM training when using different parameterizations, i.e., rules for adjusting model and optimizer hyperparameters (HPs) as model size changes. Some parameterizations fail to transfer optimal base HPs (such as learning rate) across changes in model depth, requiring practitioners to either re-tune these HPs as they scale up (expensive), or accept sub-optimal training when re-tuning is prohibitive. Even when they achieve HP transfer, we develop theory to show parameterizations may still exist in the lazy learning regime where layers learn only features close to their linearization, preventing effective use of depth and nonlinearity. Finally, we identify and adopt the parameterization we call CompleteP that achieves both depth-wise HP transfer and non-lazy learning in all layers. CompleteP enables a wider range of model width/depth ratios to remain compute-efficient, unlocking shapes better suited for different hardware settings and operational contexts. Moreover, CompleteP enables 12-34% compute efficiency improvements over the prior state-of-the-art.

AI agents are increasingly granted economic agency (executing trades, managing budgets, negotiating contracts, and spawning sub-agents), yet current frameworks gate this agency on capability benchmarks that are empirically uncorrelated with operational robustness. We introduce the Comprehension-Gated Agent Economy (CGAE), a formal architecture in which an agent's economic permissions are upper-bounded by a verified comprehension function derived from adversarial robustness audits. The gating mechanism operates over three orthogonal robustness dimensions: constraint compliance (measured by CDCT), epistemic integrity (measured by DDFT), and behavioral alignment (measured by AGT), with intrinsic hallucination rates serving as a cross-cutting diagnostic. We define a weakest-link gate function that maps robustness vectors to discrete economic tiers, and prove three properties of the resulting system: (1) bounded economic exposure, ensuring maximum financial liability is a function of verified robustness; (2) incentive-compatible robustness investment, showing rational agents maximize profit by improving robustness rather than scaling capability alone; and (3) monotonic safety scaling, demonstrating that aggregate system safety does not decrease as the economy grows. The architecture includes temporal decay and stochastic re-auditing mechanisms that prevent post-certification drift. CGAE provides the first formal bridge between empirical AI robustness evaluation and economic governance, transforming safety from a regulatory burden into a competitive advantage.

We focus on a simple, one-dimensional collective decision problem (often referred to as the facility location problem) and explore issues of strategyproofness and proportionality-based fairness. We introduce and analyze a hierarchy of proportionality-based fairness axioms of varying strength: Individual Fair Share (IFS), Unanimous Fair Share (UFS), Proportionality (as in Freeman et al, 2021), and Proportional Fairness (PF). For each axiom, we characterize the family of mechanisms that satisfy the axiom and strategyproofness. We show that imposing strategyproofness renders many of the axioms to be equivalent: the family of mechanisms that satisfy proportionality, unanimity, and strategyproofness is equivalent to the family of mechanisms that satisfy UFS and strategyproofness, which, in turn, is equivalent to the family of mechanisms that satisfy PF and strategyproofness. Furthermore, there is a unique such mechanism: the Uniform Phantom mechanism, which is studied in Freeman et al. (2021). We also characterize the outcomes of the Uniform Phantom mechanism as the unique (pure) equilibrium outcome for any mechanism that satisfies continuity, strict monotonicity, and UFS. Finally, we analyze the approximation guarantees, in terms of optimal social welfare and minimum total cost, obtained by mechanisms that are strategyproof and satisfy each proportionality-based fairness axiom. We show that the Uniform Phantom mechanism provides the best approximation of the optimal social welfare (and also minimum total cost) among all mechanisms that satisfy UFS.

Affine Maximizer Auctions (AMAs), a generalized mechanism family from VCG, are widely used in automated mechanism design due to their inherent dominant-strategy incentive compatibility (DSIC) and individual rationality (IR). However, as the payment form is fixed, AMA's expressiveness is restricted, especially in distributions where bidders' valuations are correlated. In this paper, we propose Correlation-Aware AMA (CA-AMA), a novel framework that augments AMA with a new correlation-aware payment. We show that any CA-AMA preserves the DSIC property and formalize finding optimal CA-AMA as a constraint optimization problem subject to the IR constraint. Then, we theoretically characterize scenarios where classic AMAs can perform arbitrarily poorly compared to the optimal revenue, while the CA-AMA can reach the optimal revenue. For optimizing CA-AMA, we design a practical two-stage training algorithm. We derive that the target function's continuity and the generalization bound on the degree of deviation from strict IR. Finally, extensive experiments showcase that our algorithm can find an approximate optimal CA-AMA in various distributions with improved revenue and a low degree of violation of IR.

Mixture-of-Experts (MoE) layers have emerged as an important tool in scaling up modern neural networks by decoupling total trainable parameters from activated parameters in the forward pass for each token. However, sparse MoEs add complexity to training due to (i) new trainable parameters (router weights) that, like all other parameter groups, require hyperparameter (HP) tuning; (ii) new architecture scale dimensions (number of and size of experts) that must be chosen and potentially taken large. To make HP selection cheap and reliable, we propose a new parameterization for transformer models with MoE layers when scaling model width, depth, number of experts, and expert (hidden) size. Our parameterization is justified by a novel dynamical mean-field theory (DMFT) analysis. When varying different model dimensions trained at a fixed token budget, we find empirically that our parameterization enables reliable HP transfer across models from 51M to over 2B total parameters. We further take HPs identified from sweeping small models on a short token horizon to train larger models on longer horizons and report performant model behaviors.

We investigate the mechanism design problem faced by a principal who hires multiple agents to gather and report costly information. Then, the principal exploits the information to make an informed decision. We model this problem as a game, where the principal announces a mechanism consisting in action recommendations and a payment function, a.k.a. scoring rule. Then, each agent chooses an effort level and receives partial information about an underlying state of nature based on the effort. Finally, the agents report the information (possibly non-truthfully), the principal takes a decision based on this information, and the agents are paid according to the scoring rule. While previous work focuses on single-agent problems, we consider multi-agents settings. This poses the challenge of coordinating the agents' efforts and aggregating correlated information. Indeed, we show that optimal mechanisms must correlate agents' efforts, which introduces externalities among the agents, and hence complex incentive compatibility constraints and equilibrium selection problems. First, we design a polynomial-time algorithm to find an optimal incentive compatible mechanism. Then, we study an online problem, where the principal repeatedly interacts with a group of unknown agents. We design a no-regret algorithm that provides mathcal{O}(T^{2/3}) regret with respect to an optimal mechanism, matching the state-of-the-art bound for single-agent settings.

The security of Large Language Model (LLM) applications is fundamentally challenged by "form-first" attacks like prompt injection and jailbreaking, where malicious instructions are embedded within user inputs. Conventional defenses, which rely on post hoc output filtering, are often brittle and fail to address the root cause: the model's inability to distinguish trusted instructions from untrusted data. This paper proposes Countermind, a multi-layered security architecture intended to shift defenses from a reactive, post hoc posture to a proactive, pre-inference, and intra-inference enforcement model. The architecture proposes a fortified perimeter designed to structurally validate and transform all inputs, and an internal governance mechanism intended to constrain the model's semantic processing pathways before an output is generated. The primary contributions of this work are conceptual designs for: (1) A Semantic Boundary Logic (SBL) with a mandatory, time-coupled Text Crypter intended to reduce the plaintext prompt injection attack surface, provided all ingestion paths are enforced. (2) A Parameter-Space Restriction (PSR) mechanism, leveraging principles from representation engineering, to dynamically control the LLM's access to internal semantic clusters, with the goal of mitigating semantic drift and dangerous emergent behaviors. (3) A Secure, Self-Regulating Core that uses an OODA loop and a learning security module to adapt its defenses based on an immutable audit log. (4) A Multimodal Input Sandbox and Context-Defense mechanisms to address threats from non-textual data and long-term semantic poisoning. This paper outlines an evaluation plan designed to quantify the proposed architecture's effectiveness in reducing the Attack Success Rate (ASR) for form-first attacks and to measure its potential latency overhead.

We consider an extension to the classic position auctions in which sponsored creatives can be added within AI generated content rather than shown in predefined slots. New challenges arise from the natural requirement that sponsored creatives should smoothly fit into the context. With the help of advanced LLM technologies, it becomes viable to accurately estimate the benefits of adding each individual sponsored creatives into each potential positions within the AI generated content by properly taking the context into account. Therefore, we assume one click-through rate estimation for each position-creative pair, rather than one uniform estimation for each sponsored creative across all positions in classic settings. As a result, the underlying optimization becomes a general matching problem, thus the substitution effects should be treated more carefully compared to standard position auction settings, where the slots are independent with each other. In this work, we formalize a concrete mathematical model of the extended position auction problem and study the welfare-maximization and revenue-maximization mechanism design problem. Formally, we consider two different user behavior models and solve the mechanism design problems therein respectively. For the Multinomial Logit (MNL) model, which is order-insensitive, we can efficiently implement the optimal mechanisms. For the cascade model, which is order-sensitive, we provide approximately optimal solutions.

We present the LLM Economist, a novel framework that uses agent-based modeling to design and assess economic policies in strategic environments with hierarchical decision-making. At the lower level, bounded rational worker agents -- instantiated as persona-conditioned prompts sampled from U.S. Census-calibrated income and demographic statistics -- choose labor supply to maximize text-based utility functions learned in-context. At the upper level, a planner agent employs in-context reinforcement learning to propose piecewise-linear marginal tax schedules anchored to the current U.S. federal brackets. This construction endows economic simulacra with three capabilities requisite for credible fiscal experimentation: (i) optimization of heterogeneous utilities, (ii) principled generation of large, demographically realistic agent populations, and (iii) mechanism design -- the ultimate nudging problem -- expressed entirely in natural language. Experiments with populations of up to one hundred interacting agents show that the planner converges near Stackelberg equilibria that improve aggregate social welfare relative to Saez solutions, while a periodic, persona-level voting procedure furthers these gains under decentralized governance. These results demonstrate that large language model-based agents can jointly model, simulate, and govern complex economic systems, providing a tractable test bed for policy evaluation at the societal scale to help build better civilizations.

Control barrier functions (CBFs) enable guaranteed safe multi-agent navigation in the continuous domain. The resulting navigation performance, however, is highly sensitive to the underlying hyperparameters. Traditional approaches consider fixed CBFs (where parameters are tuned apriori), and hence, typically do not perform well in cluttered and highly dynamic environments: conservative parameter values can lead to inefficient agent trajectories, or even failure to reach goal positions, whereas aggressive parameter values can lead to infeasible controls. To overcome these issues, in this paper, we propose online CBFs, whereby hyperparameters are tuned in real-time, as a function of what agents perceive in their immediate neighborhood. Since the explicit relationship between CBFs and navigation performance is hard to model, we leverage reinforcement learning to learn CBF-tuning policies in a model-free manner. Because we parameterize the policies with graph neural networks (GNNs), we are able to synthesize decentralized agent controllers that adjust parameter values locally, varying the degree of conservative and aggressive behaviors across agents. Simulations as well as real-world experiments show that (i) online CBFs are capable of solving navigation scenarios that are infeasible for fixed CBFs, and (ii), that they improve navigation performance by adapting to other agents and changes in the environment.

We argue that progress toward AGI is theory limited rather than data or scale limited. Building on the critical rationalism of Popper and Deutsch, we challenge the Platonic Representation Hypothesis. Observationally equivalent worlds can diverge under interventions, so observational adequacy alone cannot guarantee interventional competence. We begin by laying foundations, definitions of knowledge, learning, intelligence, counterfactual competence and AGI, and then analyze the limits of observational learning that motivate an error centric shift. We recast the problem as three questions about how explicit and implicit errors evolve under an agent's actions, which errors are unreachable within a fixed hypothesis space, and how conjecture and criticism expand that space. From these questions we propose Causal Mechanics, a mechanisms first program in which hypothesis space change is a first class operation and probabilistic structure is used when useful rather than presumed. We advance structural principles that make error discovery and correction tractable, including a differential Locality and Autonomy Principle for modular interventions, a gauge invariant form of Independent Causal Mechanisms for separability, and the Compositional Autonomy Principle for analogy preservation, together with actionable diagnostics. The aim is a scaffold for systems that can convert unreachable errors into reachable ones and correct them.

We study the accuracy of differentially private mechanisms in the continual release model. A continual release mechanism receives a sensitive dataset as a stream of T inputs and produces, after receiving each input, an accurate output on the obtained inputs. In contrast, a batch algorithm receives the data as one batch and produces a single output. We provide the first strong lower bounds on the error of continual release mechanisms. In particular, for two fundamental problems that are widely studied and used in the batch model, we show that the worst case error of every continual release algorithm is tilde Omega(T^{1/3}) times larger than that of the best batch algorithm. Previous work shows only a polylogarithimic (in T) gap between the worst case error achievable in these two models; further, for many problems, including the summation of binary attributes, the polylogarithmic gap is tight (Dwork et al., 2010; Chan et al., 2010). Our results show that problems closely related to summation -- specifically, those that require selecting the largest of a set of sums -- are fundamentally harder in the continual release model than in the batch model. Our lower bounds assume only that privacy holds for streams fixed in advance (the "nonadaptive" setting). However, we provide matching upper bounds that hold in a model where privacy is required even for adaptively selected streams. This model may be of independent interest.

It is increasingly important that LLM agents interact effectively and safely with other goal-pursuing agents, yet, recent works report the opposite trend: LLMs with stronger reasoning capabilities behave _less_ cooperatively in mixed-motive games such as the prisoner's dilemma and public goods settings. Indeed, our experiments show that recent models -- with or without reasoning enabled -- consistently defect in single-shot social dilemmas. To tackle this safety concern, we present the first comparative study of game-theoretic mechanisms designed to enable cooperative outcomes between rational agents _in equilibrium_. Across four social dilemmas testing distinct components of robust cooperation, we evaluate four families of mechanisms: (1) repeating the game for many rounds, (2) reputation systems, (3) third-party mediators to delegate decision making to, and (4) contract agreements for outcome-conditional payments between players. Among our findings, we establish that contracting and mediation are most effective in achieving cooperative outcomes between capable LLM models, and that repetition-induced cooperation deteriorates drastically when co-players vary. Moreover, we demonstrate that the mechanisms become _more effective_ under evolutionary pressures to maximize individual payoffs.

Parameterised actions in reinforcement learning are composed of discrete actions with continuous action-parameters. This provides a framework for solving complex domains that require combining high-level actions with flexible control. The recent P-DQN algorithm extends deep Q-networks to learn over such action spaces. However, it treats all action-parameters as a single joint input to the Q-network, invalidating its theoretical foundations. We analyse the issues with this approach and propose a novel method, multi-pass deep Q-networks, or MP-DQN, to address them. We empirically demonstrate that MP-DQN significantly outperforms P-DQN and other previous algorithms in terms of data efficiency and converged policy performance on the Platform, Robot Soccer Goal, and Half Field Offense domains.

Mechanistic interpretability aims to understand the internal mechanisms learned by neural networks. Despite recent progress toward this goal, it remains unclear how best to decompose neural network parameters into mechanistic components. We introduce Attribution-based Parameter Decomposition (APD), a method that directly decomposes a neural network's parameters into components that (i) are faithful to the parameters of the original network, (ii) require a minimal number of components to process any input, and (iii) are maximally simple. Our approach thus optimizes for a minimal length description of the network's mechanisms. We demonstrate APD's effectiveness by successfully identifying ground truth mechanisms in multiple toy experimental settings: Recovering features from superposition; separating compressed computations; and identifying cross-layer distributed representations. While challenges remain to scaling APD to non-toy models, our results suggest solutions to several open problems in mechanistic interpretability, including identifying minimal circuits in superposition, offering a conceptual foundation for 'features', and providing an architecture-agnostic framework for neural network decomposition.

In this work, we undertake the challenge of augmenting the existing generative capabilities of pre-trained text-only large language models (LLMs) with multi-modal generation capability while satisfying two core constraints: C1 preserving the preservation of original language generative capabilities with negligible performance degradation, and C2 adhering to a small parameter budget to learn the new modality, ensuring scalability and efficiency. In contrast to current approaches that add dedicated modules, thereby significantly increasing the parameter count, we propose a method that leverages the underutilized capacity inherent in deep models. Specifically, we exploit the parameter redundancy within Mixture-of-Experts (MoEs) as a source of additional capacity for learning a new modality, enabling better parameter efficiency (C1). Moreover, we preserve the original language generation capabilities by applying low-rank adaptation exclusively to the tokens of the new modality (C2). Furthermore, we introduce a novel parameter initialization scheme based on the Gromov-Wasserstein distance to improve convergence and training stability. Through an extensive analysis of the routing mechanism, we uncover the emergence of modality-specific pathways and decreased redundancy within the experts that can efficiently unlock multi-modal generative capabilities. Overall, our method can be seamlessly applied to a wide range of contemporary LLMs, providing a new pathway for transitioning from uni-modal to multi-modal architectures.

We consider strategy proof mechanisms for facility location which maximize equitability between agents. As is common in the literature, we measure equitability with the Gini index. We first prove a simple but fundamental impossibility result that no strategy proof mechanism can bound the approximation ratio of the optimal Gini index of utilities for one or more facilities. We propose instead computing approximation ratios of the complemented Gini index of utilities, and consider how well both deterministic and randomized mechanisms approximate this. In addition, as Nash welfare is often put forwards as an equitable compromise between egalitarian and utilitarian outcomes, we consider how well mechanisms approximate the Nash welfare.

Proportionality is an attractive fairness concept that has been applied to a range of problems including the facility location problem, a classic problem in social choice. In our work, we propose a concept called Strong Proportionality, which ensures that when there are two groups of agents at different locations, both groups incur the same total cost. We show that although Strong Proportionality is a well-motivated and basic axiom, there is no deterministic strategyproof mechanism satisfying the property. We then identify a randomized mechanism called Random Rank (which uniformly selects a number k between 1 to n and locates the facility at the k'th highest agent location) which satisfies Strong Proportionality in expectation. Our main theorem characterizes Random Rank as the unique mechanism that achieves universal truthfulness, universal anonymity, and Strong Proportionality in expectation among all randomized mechanisms. Finally, we show via the AverageOrRandomRank mechanism that even stronger ex-post fairness guarantees can be achieved by weakening universal truthfulness to strategyproofness in expectation.

Attention-based mechanisms are widely used in machine learning, most prominently in transformers. However, hyperparameters such as the rank of the attention matrices and the number of heads are scaled nearly the same way in all realizations of this architecture, without theoretical justification. In this work we show that there are dramatic trade-offs between the rank and number of heads of the attention mechanism. Specifically, we present a simple and natural target function that can be represented using a single full-rank attention head for any context length, but that cannot be approximated by low-rank attention unless the number of heads is exponential in the embedding dimension, even for short context lengths. Moreover, we prove that, for short context lengths, adding depth allows the target to be approximated by low-rank attention. For long contexts, we conjecture that full-rank attention is necessary. Finally, we present experiments with off-the-shelf transformers that validate our theoretical findings.

Multi-agent systems (MAS) demonstrate clear advantages in tackling complex problems by coordinating diverse agents and external tools. However, most existing orchestration methods rely on static workflows or serial agent scheduling, and are further constrained by heterogeneous interface protocols between tools and agents. This leads to high system complexity and poor extensibility. To mitigate these issues, we propose Agent-as-Tool, a unified parallel orchestration paradigm that abstracts both agents and tools into a standardized, learnable action space with protocol normalization and explicit state feedback. Building on this paradigm, we train a lightweight orchestrator, ParaManager, which decouples planning decisions from subtask solving, enabling state-aware parallel subtask decomposition, delegation, and asynchronous execution. For training, we adopt a two-stage ParaManager training pipeline. It improves robustness by incorporating supervised fine-tuning (SFT) trajectories equipped with recovery mechanisms, and further applies reinforcement learning (RL) to achieve an optimal balance among task success, protocol compliance, diversity, and reasoning efficiency. Experiments show that ParaManager achieves strong performance across multiple benchmarks and exhibits robust generalization under unseen model pools.

Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.

The performance of a language model has been shown to be effectively modeled as a power-law in its parameter count. Here we study the scaling behaviors of Routing Networks: architectures that conditionally use only a subset of their parameters while processing an input. For these models, parameter count and computational requirement form two independent axes along which an increase leads to better performance. In this work we derive and justify scaling laws defined on these two variables which generalize those known for standard language models and describe the performance of a wide range of routing architectures trained via three different techniques. Afterwards we provide two applications of these laws: first deriving an Effective Parameter Count along which all models scale at the same rate, and then using the scaling coefficients to give a quantitative comparison of the three routing techniques considered. Our analysis derives from an extensive evaluation of Routing Networks across five orders of magnitude of size, including models with hundreds of experts and hundreds of billions of parameters.

We consider the obnoxious facility location problem (in which agents prefer the facility location to be far from them) and propose a hierarchy of distance-based proportional fairness concepts for the problem. These fairness axioms ensure that groups of agents at the same location are guaranteed to be a distance from the facility proportional to their group size. We consider deterministic and randomized mechanisms, and compute tight bounds on the price of proportional fairness. In the deterministic setting, we show that our proportional fairness axioms are incompatible with strategyproofness, and prove asymptotically tight epsilon-price of anarchy and stability bounds for proportionally fair welfare-optimal mechanisms. In the randomized setting, we identify proportionally fair and strategyproof mechanisms that give an expected welfare within a constant factor of the optimal welfare. Finally, we prove existence results for two extensions to our model.

Backdoor mechanisms have traditionally been studied as security threats that compromise the integrity of machine learning models. However, the same mechanism -- the conditional activation of specific behaviors through input triggers -- can also serve as a controllable and auditable interface for trustworthy model behavior. In this work, we present Backdoor4Good (B4G), a unified benchmark and framework for beneficial backdoor applications in large language models (LLMs). Unlike conventional backdoor studies focused on attacks and defenses, B4G repurposes backdoor conditioning for Beneficial Tasks that enhance safety, controllability, and accountability. It formalizes beneficial backdoor learning under a triplet formulation (T, A, U), representing the Trigger, Activation mechanism, and Utility function, and implements a benchmark covering four trust-centric applications. Through extensive experiments across Llama3.1-8B, Gemma-2-9B, Qwen2.5-7B, and Llama2-13B, we show that beneficial backdoors can achieve high controllability, tamper-resistance, and stealthiness while preserving clean-task performance. Our findings demonstrate new insights that backdoors need not be inherently malicious; when properly designed, they can serve as modular, interpretable, and beneficial building blocks for trustworthy AI systems. Our code and datasets are available at https://github.com/bboylyg/BackdoorLLM/B4G.

The growing scale of deep learning models has rendered standard hyperparameter (HP) optimization prohibitively expensive. A promising solution is the use of scale-aware hyperparameters, which can enable direct transfer of optimal HPs from small-scale grid searches to large models with minimal performance loss. To understand the principles governing such transfer strategy, we develop a general conceptual framework for reasoning about HP transfer across scale, characterizing transfer as fast when the suboptimality it induces vanishes asymptotically faster than the finite-scale performance gap. We show formally that fast transfer is equivalent to useful transfer for compute-optimal grid search, meaning that transfer is asymptotically more compute-efficient than direct tuning. While empirical work has found that the Maximal Update Parameterization (μP) exhibits fast transfer when scaling model width, the mechanisms remain poorly understood. We show that this property depends critically on problem structure by presenting synthetic settings where transfer either offers provable computational advantage or fails to outperform direct tuning even under μP. To explain the fast transfer observed in practice, we conjecture that decomposing the optimization trajectory reveals two contributions to loss reduction: (1) a width-stable component that determines the optimal HPs, and (2) a width-sensitive component that improves with width but weakly perturbs the HP optimum. We present empirical evidence for this hypothesis across various settings, including large language model pretraining.

We introduce a unified mathematical and probabilistic framework for understanding and comparing diverse AI agent strategies. We bridge the gap between high-level agent design concepts, such as ReAct, multi-agent systems, and control flows, and a rigorous mathematical formulation. Our approach frames agentic processes as a chain of probabilities, enabling a detailed analysis of how different strategies manipulate these probabilities to achieve desired outcomes. Our framework provides a common language for discussing the trade-offs inherent in various agent architectures. One of our many key contributions is the introduction of the "Degrees of Freedom" concept, which intuitively differentiates the optimizable levers available for each approach, thereby guiding the selection of appropriate strategies for specific tasks. This work aims to enhance the clarity and precision in designing and evaluating AI agents, offering insights into maximizing the probability of successful actions within complex agentic systems.

This paper studies defense mechanisms against model inversion (MI) attacks -- a type of privacy attacks aimed at inferring information about the training data distribution given the access to a target machine learning model. Existing defense mechanisms rely on model-specific heuristics or noise injection. While being able to mitigate attacks, existing methods significantly hinder model performance. There remains a question of how to design a defense mechanism that is applicable to a variety of models and achieves better utility-privacy tradeoff. In this paper, we propose the Mutual Information Regularization based Defense (MID) against MI attacks. The key idea is to limit the information about the model input contained in the prediction, thereby limiting the ability of an adversary to infer the private training attributes from the model prediction. Our defense principle is model-agnostic and we present tractable approximations to the regularizer for linear regression, decision trees, and neural networks, which have been successfully attacked by prior work if not attached with any defenses. We present a formal study of MI attacks by devising a rigorous game-based definition and quantifying the associated information leakage. Our theoretical analysis sheds light on the inefficacy of DP in defending against MI attacks, which has been empirically observed in several prior works. Our experiments demonstrate that MID leads to state-of-the-art performance for a variety of MI attacks, target models and datasets.

Domain expertise enhances judgment within boundaries but creates systematic vulnerabilities specifically at borders. We term this Transitive Expert Error (TEE), distinct from Dunning-Kruger effects, requiring calibrated expertise as precondition. Mechanisms enabling reliable within-domain judgment become liabilities when structural similarity masks causal divergence. Two core mechanisms operate: structural similarity bias causes experts to overweight surface features (shared vocabulary, patterns, formal structure) while missing causal architecture differences; authority persistence maintains confidence across competence boundaries through social reinforcement and metacognitive failures (experts experience no subjective uncertainty as pattern recognition operates smoothly on familiar-seeming inputs.) These mechanism intensify under three conditions: shared vocabulary masking divergent processes, social pressure for immediate judgment, and delayed feedback. These findings extend to AI routing architectures (MoE systems, multi-model orchestration, tool-using agents, RAG systems) exhibiting routing-induced failures (wrong specialist selected) and coverage-induced failures (no appropriate specialist exists). Both produce a hallucination phenotype: confident, coherent, structurally plausible but causally incorrect outputs at domain boundaries. In human systems where mechanisms are cognitive black boxes; AI architectures make them explicit and addressable. We propose interventions: multi-expert activation with disagreement detection (router level), boundary-aware calibration (specialist level), and coverage gap detection (training level). TEE has detectable signatures (routing patterns, confidence-accuracy dissociations, domain-inappropriate content) enabling monitoring and mitigation. What remains intractable in human cognition becomes addressable through architectural design.

The principle of independent causal mechanisms (ICM) states that generative processes of real world data consist of independent modules which do not influence or inform each other. While this idea has led to fruitful developments in the field of causal inference, it is not widely-known in the NLP community. In this work, we argue that the causal direction of the data collection process bears nontrivial implications that can explain a number of published NLP findings, such as differences in semi-supervised learning (SSL) and domain adaptation (DA) performance across different settings. We categorize common NLP tasks according to their causal direction and empirically assay the validity of the ICM principle for text data using minimum description length. We conduct an extensive meta-analysis of over 100 published SSL and 30 DA studies, and find that the results are consistent with our expectations based on causal insights. This work presents the first attempt to analyze the ICM principle in NLP, and provides constructive suggestions for future modeling choices. Code available at https://github.com/zhijing-jin/icm4nlp

Sparse Mixture-of-Experts (MoE) architectures employ increasingly sophisticated routing mechanisms -- learned routers, multi-hop trajectories, token-dependent gating. We ask: does routing topology actually determine language modeling quality? We build a geometric MoE (ST-MoE) using cosine-similarity routing against learned centroids in a low-dimensional space (d_{space} = 64), requiring 80% fewer routing parameters than standard linear routers. Through 62 controlled experiments on WikiText-103 at 76--84M parameters trained to convergence (50K steps, 1.64B tokens), we find that routing topology does not determine asymptotic perplexity (PPL): five cosine-routing variants are statistically equivalent within a 1-PPL margin (Two One-Sided Tests [TOST], p < 0.05 for all 10 pairwise comparisons; 15 runs across 3 seeds, observed range 33.93--34.72). The finding extends to hash, random-fixed, and top-1 routing (single-seed; graceful 1.1--2.2 PPL degradation) and replicates on OpenWebText (0.03 PPL gap, 6 runs, 3 seeds each). A standard linear router with 5.3times more routing parameters reaches PPL 32.76, but iso-parameter cosine routing closes 67% of this gap -- the true mechanism advantage is sim1.2%. The mechanistic explanation is convergent redundancy: multi-hop updates are collinear (cos(Δh_0, Δh_1) = 0.805), implementing magnitude amplification rather than compositional reasoning; a single learnable scalar replicates multi-hop performance. As a practical payoff, zero-shot relative-norm halting saves 25% of MoE FLOPs at +0.12% PPL. Expert-level specialization and causal controllability -- which coexist with topology-level equifinality -- are explored in a companion paper.

Motivated by the phenomenon of strategic agents gaming a recommender system to maximize the number of times they are recommended to users, we study a strategic variant of the linear contextual bandit problem, where the arms can strategically misreport privately observed contexts to the learner. We treat the algorithm design problem as one of mechanism design under uncertainty and propose the Optimistic Grim Trigger Mechanism (OptGTM) that incentivizes the agents (i.e., arms) to report their contexts truthfully while simultaneously minimizing regret. We also show that failing to account for the strategic nature of the agents results in linear regret. However, a trade-off between mechanism design and regret minimization appears to be unavoidable. More broadly, this work aims to provide insight into the intersection of online learning and mechanism design.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

In this paper, we introduce agentic unlearning which removes specified information from both model parameters and persistent memory in agents with closed-loop interaction. Existing unlearning methods target parameters alone, leaving two critical gaps: (i) parameter-memory backflow, where retrieval reactivates parametric remnants or memory artifacts reintroduce sensitive content, and (ii) the absence of a unified strategy that covers both parameter and memory pathways. We present Synchronized Backflow Unlearning (SBU), a framework that unlearns jointly across parameter and memory pathways. The memory pathway performs dependency closure-based unlearning that prunes isolated entities while logically invalidating shared artifacts. The parameter pathway employs stochastic reference alignment to guide model outputs toward a high-entropy prior. These pathways are integrated via a synchronized dual-update protocol, forming a closed-loop mechanism where memory unlearning and parametric suppression reinforce each other to prevent cross-pathway recontamination. Experiments on medical QA benchmarks show that SBU reduces traces of targeted private information across both pathways with limited degradation on retained data.

The Polymorphic Combinatorial Framework (PCF) leverages Large Language Models (LLMs) and mathematical frameworks to guide the meta-prompt enabled design of solution spaces and adaptive AI agents for complex, dynamic environments. Unlike static agent architectures, PCF enables real-time parameter reconfiguration through mathematically-grounded combinatorial spaces, allowing agents to adapt their core behavioral traits dynamically. Grounded in combinatorial logic, topos theory, and rough fuzzy set theory, PCF defines a multidimensional SPARK parameter space (Skills, Personalities, Approaches, Resources, Knowledge) to capture agent behaviors. This paper demonstrates how LLMs can parameterize complex spaces and estimate likely parameter values/variabilities. Using PCF, we parameterized mock caf\'e domains (five levels of complexity), estimated variables/variabilities, and conducted over 1.25 million Monte Carlo simulations. The results revealed trends in agent adaptability and performance across the five complexity tiers, with diminishing returns at higher complexity levels highlighting thresholds for scalable designs. PCF enables the generation of optimized agent configurations for specific scenarios while maintaining logical consistency. This framework supports scalable, dynamic, explainable, and ethical AI applications in domains like customer service, healthcare, robotics, and collaborative systems, paving the way for adaptable and cooperative next-generation polymorphic agents.

The Model Context Protocol (MCP) standardizes how AI agents discover and invoke external tools, with over 10,000 active servers and 97 million monthly SDK downloads as of early 2026. Yet MCP does not yet standardize how agents safely operate those tools at production scale. Three protocol-level primitives remain missing: identity propagation, adaptive tool budgeting, and structured error semantics. This paper identifies these gaps through field lessons from an enterprise deployment of an AI agent platform integrated with a major cloud provider's MCP servers (client name redacted). We propose three mechanisms to fill them: (1) the Context-Aware Broker Protocol (CABP), which extends JSON-RPC with identity-scoped request routing via a six-stage broker pipeline; (2) Adaptive Timeout Budget Allocation (ATBA), which frames sequential tool invocation as a budget allocation problem over heterogeneous latency distributions; and (3) the Structured Error Recovery Framework (SERF), which provides machine-readable failure semantics that enable deterministic agent self-correction. We organize production failure modes into five design dimensions (server contracts, user context, timeouts, errors, and observability), document concrete failure vignettes, and present a production readiness checklist. All three algorithms are formalized as testable hypotheses with reproducible experimental methodology. Field observations demonstrate that while MCP provides a solid protocol foundation, reliable agent tool integration requires infrastructure-level mechanisms that the specification does not yet address.

As LLM agents adopt large skill libraries, selecting the right subset becomes a structural problem rather than a similarity-matching one: skills depend on, conflict with, specialize, or duplicate one another, a structure invisible to both full enumeration and embedding similarity. We present SkillDAG, which models inter-skill relationships as a typed directed graph and exposes it to an LLM agent as an inference-time, agent-callable structural retrieval interface, queried and evolved during execution rather than baked into a fixed retrieval pipeline: each search returns vector matches, typed-edge neighbors, and conflict signals, and a propose-then-commit protocol lets the agent register execution-backed edges so the graph accumulates structure across episodes. On ALFWorld and SkillsBench with MiniMax-M2.7, SkillDAG reaches 67.1% success and 27.3% reward, exceeding the strongest reported Graph-of-Skills baseline by +12.8 and +8.6 points; the advantage ports to gpt-5.2-codex, and intrinsic SkillsBench Ret@K rises from 65.5 to 78.2 under matched queries. These gains trace to isolable mechanisms: candidate ranking that stays robust as the pool grows 10x where a fixed seeding-diffusion pipeline degrades, and set-monotone online edits that enlarge ground-truth recall without evicting prior hits.

The foundation of reproducible science lies in protocols that are precise, logically ordered, and executable. The autonomous generation of these protocols through natural language queries could greatly improve the efficiency of the reproduction process. However, current leading large language models (LLMs) often generate incomplete or inconsistent protocols, limiting their utility. To address this limitation, we first introduce SciRecipe, a large-scale dataset of over 12K structured protocols spanning 27 biological subfields and encompassing both comprehension and problem-solving tasks. To further improve protocol generation, we propose the "Sketch-and-Fill" paradigm, which separates analysis, structuring, and expression to ensure each step is explicit and verifiable. Complementing this, the structured component-based reward mechanism evaluates step granularity, action order, and semantic fidelity, aligning model optimization with experimental reliability. Building on these components, we develop Thoth, trained through a staged Knowledge-to-Action process that progresses from knowledge acquisition to operational reasoning and ultimately to robust, executable protocol generation. Across multiple benchmarks, Thoth consistently surpasses both proprietary and open-source LLMs, achieving significant improvements in step alignment, logical sequencing, and semantic accuracy. Our approach paves the way for reliable scientific assistants that bridge knowledge with experimental execution. All data, code, and models will be released publicly.

We study two-level autoresearch for cooperation: an outer-loop AI agent autonomously redesigns the inner-loop pipeline of an LLM policy-synthesis system for multi-agent Sequential Social Dilemmas (SSDs). A researcher agent R (run as a coding agent) reads the inner-loop source code, edits system prompts, feedback functions, helper libraries, and iteration logic, runs evaluations, and decides what to keep, following the autoresearch paradigm. Across two games (Cleanup and Gathering), two policy-synthesizer LLMs, and two welfare objectives (utilitarian efficiency and Rawlsian maximin), the researcher reliably exceeds hand-designed baselines, sharply tightens run-to-run variance, and outperforms prompt-only optimization. The discovered pipelines are objective-dependent: only under maximin does the researcher inject an explicit fairness mechanism into synthesizer pipelines, a class of mechanism that is absent from its own objective-agnostic system prompt and from every efficiency-optimized pipeline. This supports an information-design reading in which the researcher chooses what to reveal to the boundedly rational synthesizer as a function of the welfare objective. Code at https://github.com/vicgalle/autoresearch-social-dilemmas.

Large language model (LLM) agents are increasingly used for complex tasks, yet deployed agents often remain static, failing to adapt as user needs evolve. This creates a tension between the need for continuous service and the necessity of updating capabilities to match shifting task distributions. On platforms like OpenClaw, which handle diverse workloads across 20+ channels, existing methods either store raw trajectories without distilling knowledge, maintain static skill libraries, or require disruptive downtime for retraining. We present MetaClaw, a continual meta-learning framework that jointly evolves a base LLM policy and a library of reusable behavioral skills. MetaClaw employs two complementary mechanisms. Skill-driven fast adaptation analyzes failure trajectories via an LLM evolver to synthesize new skills, enabling immediate improvement with zero downtime. Opportunistic policy optimization performs gradient-based updates via cloud LoRA fine-tuning and Reinforcement Learning with a Process Reward Model (RL-PRM). This is triggered during user-inactive windows by the Opportunistic Meta-Learning Scheduler (OMLS), which monitors system inactivity and calendar data. These mechanisms are mutually reinforcing: a refined policy generates better trajectories for skill synthesis, while richer skills provide higher-quality data for policy optimization. To prevent data contamination, a versioning mechanism separates support and query data. Built on a proxy-based architecture, MetaClaw scales to production-size LLMs without local GPUs. Experiments on MetaClaw-Bench and AutoResearchClaw show that skill-driven adaptation improves accuracy by up to 32% relative. The full pipeline advances Kimi-K2.5 accuracy from 21.4% to 40.6% and increases composite robustness by 18.3%. Code is available at https://github.com/aiming-lab/MetaClaw.

Varying dynamics parameters in simulation is a popular Domain Randomization (DR) approach for overcoming the reality gap in Reinforcement Learning (RL). Nevertheless, DR heavily hinges on the choice of the sampling distribution of the dynamics parameters, since high variability is crucial to regularize the agent's behavior but notoriously leads to overly conservative policies when randomizing excessively. In this paper, we propose a novel approach to address sim-to-real transfer, which automatically shapes dynamics distributions during training in simulation without requiring real-world data. We introduce DOmain RAndomization via Entropy MaximizatiON (DORAEMON), a constrained optimization problem that directly maximizes the entropy of the training distribution while retaining generalization capabilities. In achieving this, DORAEMON gradually increases the diversity of sampled dynamics parameters as long as the probability of success of the current policy is sufficiently high. We empirically validate the consistent benefits of DORAEMON in obtaining highly adaptive and generalizable policies, i.e. solving the task at hand across the widest range of dynamics parameters, as opposed to representative baselines from the DR literature. Notably, we also demonstrate the Sim2Real applicability of DORAEMON through its successful zero-shot transfer in a robotic manipulation setup under unknown real-world parameters.

Large Language Models (LLMs) have demonstrated great potential as generalist assistants, showcasing powerful task understanding and problem-solving capabilities. To deploy LLMs as AI assistants, it is crucial that these models exhibit desirable behavioral traits, such as non-toxicity and resilience against jailbreak attempts. Current methods for detoxification or preventing jailbreaking usually involve Supervised Fine-Tuning (SFT) or Reinforcement Learning from Human Feedback (RLHF), which requires finetuning billions of parameters through gradient descent with substantial computation cost. Furthermore, models modified through SFT and RLHF may deviate from the pretrained models, potentially leading to a degradation in foundational LLM capabilities. In this paper, we observe that surprisingly, directly editing a small subset of parameters can effectively modulate specific behaviors of LLMs, such as detoxification and resistance to jailbreaking. Specifically, for a behavior that we aim to avoid, we employ a linear classifier, which we term the behavior probe, to classify binary behavior labels within the hidden state space of the LLM. Using this probe, we introduce an algorithm to identify a critical subset of LLM parameters that significantly influence this targeted behavior. Then we directly edit these selected parameters by shifting them towards the behavior probe. Such a direct parameter editing method necessitates only inference-level computational resources. Experiments demonstrate that in the representative detoxification task, our approach achieves reductions of up to 90.0\% in toxicity on the RealToxicityPrompts dataset and 49.2\% on ToxiGen, while maintaining the LLM's general capabilities in areas such as common sense, question answering, and mathematics. Our code is available at https://github.com/lucywang720/model-surgery.

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on prompt design or fine-tuning strategies applied to vanilla LLMs, which often leads to limited effectiveness or suboptimal performance in complex agent-related environments. Although LLM optimization techniques can improve model performance across many general tasks, they lack specialized optimization towards critical agent functionalities such as long-term planning, dynamic environmental interaction, and complex decision-making. Although numerous recent studies have explored various strategies to optimize LLM-based agents for complex agent tasks, a systematic review summarizing and comparing these methods from a holistic perspective is still lacking. In this survey, we provide a comprehensive review of LLM-based agent optimization approaches, categorizing them into parameter-driven and parameter-free methods. We first focus on parameter-driven optimization, covering fine-tuning-based optimization, reinforcement learning-based optimization, and hybrid strategies, analyzing key aspects such as trajectory data construction, fine-tuning techniques, reward function design, and optimization algorithms. Additionally, we briefly discuss parameter-free strategies that optimize agent behavior through prompt engineering and external knowledge retrieval. Finally, we summarize the datasets and benchmarks used for evaluation and tuning, review key applications of LLM-based agents, and discuss major challenges and promising future directions. Our repository for related references is available at https://github.com/YoungDubbyDu/LLM-Agent-Optimization.

Cortical neurons are complex, multi-timescale processors wired into recurrent circuits, shaped by long evolutionary pressure under stringent biological constraints. Mainstream machine learning, by contrast, predominantly builds models from extremely simple units, a default inherited from early neural-network theory. We treat this as a normative architectural question. How should one split a fixed parameter budget P between the number of units N, per-unit effective complexity k_e, and per-unit connectivity k_c? What controls the optimal allocation? This calls for a model in which per-unit complexity can be tuned independently of width and connectivity. Accordingly, we introduce the ELM Network, whose recurrent layer is built from Expressive Leaky Memory (ELM) neurons, chosen to mirror functional components of cortical neurons. The architecture allows for individually adjusting N, k_e, and k_c and trains stably across orders of magnitude in scale. We evaluate the model on two qualitatively different sequence benchmarks: the neuromorphic SHD-Adding task and Enwik8 character-level language modeling. Performance improves monotonically along each of the three axes individually. Under a fixed budget, a clear non-trivial optimum emerges in their tradeoff, and larger budgets favor both more and more complex neurons. A closed-form information-theoretic model captures these tradeoffs and attributes the diminishing returns at two ends to: per-neuron signal-to-noise saturation and across-neuron redundancy. A hyperparameter sweep spanning three orders of magnitude in trainable parameters traces a near-Pareto-frontier scaling law consistent with the framework. This suggests that the simple-unit default in ML is not obviously optimal once this tradeoff surface is probed, and offers a normative lens on cortex's reliance on complex spatio-temporal integrators.

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is grounded in a faithful recovered causal mechanism. Each episode places an agent in a synthetic laboratory: it receives prior measurement records, intervenes on a manipulator crystal, and predicts the resonance frequency of a held-out reactor crystal governed by the same mechanism. The hidden data-generating process is a randomly sampled structural causal model (SCM), so success requires recovering both a causal graph and structural equations rather than recalling prior knowledge. Experiments show a persistent gap between prediction and mechanism recovery: in the purely observational 6-node setting, GPT-5.2-high reaches 92% task accuracy but only 0.471 all-edge F_1. Mixed observation-intervention strategies improve structural fidelity, while pure intervention remains difficult even for strong agents. We identify premature stopping as a major weakness and show that consistency verification mitigates it. CausaLab therefore separates predictive success from causal understanding and exposes current LLM agents' limits as experimental causal reasoners.

As LLM agents evolve, tokens have emerged as the core economic primitives of Agentic AI. However, their exponential consumption introduces severe computational, collaborative, and security bottlenecks. Current surveys remain fragmented across system optimization, architecture design, and trust, lacking a unified framework to evaluate the fundamental trade-off between output quality and economic cost. To bridge this gap, this survey presents the first comprehensive survey of Token Economics. By unifying computer science and economics, we conceptualize tokens as production factors, exchange mediums, and units of account. We synthesize existing literature across a four-dimensional taxonomy: (1) Micro-level (Single Agent): Optimizing budget-constrained factor substitution via neoclassical firm theory. (2) Meso-level (Multi-Agent Systems): Minimizing collaboration friction using transaction cost and principal-agent theories. (3) Macro-level (Agent Ecosystems): Addressing congestion externalities and pricing via mechanism design. (4) Security: Internalizing adversarial threats as endogenous economic constraints. Finally, we outline frontier directions, including differentiable token budgets and dynamic markets, to lay the theoretical foundation for scalable next-generation agent systems.

Continual Model Merging (CMM) sequentially integrates task-specific models into a unified architecture without intensive retraining. However, existing CMM methods are hindered by a fundamental saturation-redundancy dilemma: backbone-centric approaches face parameter saturation and representation interference within fixed capacities, whereas Mixture-of-Experts (MoE) variants resort to indiscriminate expansion, incurring expert redundancy and a routing bottleneck reliant on additional data-driven optimization. To resolve these challenges, we propose MADE-IT (Manifold-Aware Dynamic Expert Evolution and Implicit rouTing), an adaptive CMM method that orchestrates expert management and activation by grounding intrinsic expert representations in manifold geometry. We introduce a projection-based subspace affinity metric coupled with a distribution-aware adaptive threshold mechanism to guide autonomous expert evolution, harmonizing diversity with architectural parsimony. Furthermore, to bypass parameterized gating networks, we design a data-free and training-free implicit routing mechanism that activates experts via feature-subspace alignment. Extensive experiments demonstrate that MADE-IT consistently outperforms strong baselines in accuracy and robustness across long-horizon and shuffled task sequences, while significantly pruning redundant experts, particularly within generic modules and early layers.

Large language models excel at pattern matching, yet often fall short in systematic compositional generalization. We propose the coverage principle: a data-centric framework showing that models relying primarily on pattern matching for compositional tasks cannot reliably generalize beyond substituting fragments that yield identical results when used in the same contexts. We demonstrate that this framework has a strong predictive power for the generalization capabilities of Transformers. First, we derive and empirically confirm that the training data required for two-hop generalization grows at least quadratically with the token set size, and the training data efficiency does not improve with 20x parameter scaling. Second, for compositional tasks with path ambiguity where one variable affects the output through multiple computational paths, we show that Transformers learn context-dependent state representations that undermine both performance and interoperability. Third, Chain-of-Thought supervision improves training data efficiency for multi-hop tasks but still struggles with path ambiguity. Finally, we outline a mechanism-based taxonomy that distinguishes three ways neural networks can generalize: structure-based (bounded by coverage), property-based (leveraging algebraic invariances), and shared-operator (through function reuse). This conceptual lens contextualizes our results and highlights where new architectural ideas are needed to achieve systematic compositionally. Overall, the coverage principle provides a unified lens for understanding compositional reasoning, and underscores the need for fundamental architectural or training innovations to achieve truly systematic compositionality.

For most of scientific history, researchers studying behavior could only infer hidden mechanisms from outward actions: an inverse problem that becomes more tractable when observation is augmented by targeted intervention. We pose a computational analogue: given only behavioral traces of an agent in a game environment, can a learner reconstruct the underlying decision program as executable code, and how much does this reconstruction improve with the ability to design controlled experiments? We introduce RevengeBench, a benchmark of 75 LLM generated, Elo-calibrated policies across five game environments, drawn from CodeClash tournament trajectories. The learner observes the hidden target policy play against sampled opponents and designs behavioral probes in the form of custom opponent policies that elicit informative behavior. It then submits an executable hypothesis, which is evaluated using continuous action-distance metrics. We further validate that recovered code carries informative signal in downstream player-versus-player tournaments. Across twelve frontier LLMs, recovery quality varies substantially (34 to 72% of initial distance closed), with reconstructed policies yielding measurable competitive advantage, particularly for weaker models that otherwise struggle to design effective counter-strategies. Our benchmark positions behavioral recovery of programmatic policies as a tractable inverse problem in code-space, opening a path to opponent modeling, policy interpretability, and the broader question of inferring latent mechanisms from observations.

This paper presents a practical investigation into fine-tuning model parameters for mathematical reasoning tasks through experimenting with various configurations including randomness control, reasoning depth, and sampling strategies, careful tuning demonstrates substantial improvements in efficiency as well as performance. A holistically optimized framework is introduced for five state-of-the-art models on mathematical reasoning tasks, exhibiting significant performance boosts while maintaining solution correctness. Through systematic parameter optimization across Qwen2.5-72B, Llama-3.1-70B, DeepSeek-V3, Mixtral-8x22B, and Yi-Lightning, consistent efficiency gains are demonstrated with 100% optimization success rate. The methodology achieves an average 29.4% reduction in computational cost and 23.9% improvement in inference speed across all tested models. This framework systematically searches parameter spaces including temperature (0.1-0.5), reasoning steps (4-12), planning periods (1-4), and nucleus sampling (0.85-0.98), determining optimal configurations through testing on mathematical reasoning benchmarks. Critical findings show that lower temperature regimes (0.1-0.4) and reduced reasoning steps (4-6) consistently enhance efficiency without compromising accuracy. DeepSeek-V3 achieves the highest accuracy at 98%, while Mixtral-8x22B delivers the most cost-effective performance at 361.5 tokens per accurate response. Key contributions include: (1) the first comprehensive optimization study for five diverse SOTA models in mathematical reasoning, (2) a standardized production-oriented parameter optimization framework, (3) discovery of universal optimization trends applicable across model architectures, and (4) production-ready configurations with extensive performance characterization.

Common-pool resource governance requires users to cooperate and avoid overexploitation, but defection and free-riding often undermine cooperation. We model a human-environmental system that integrates dynamics of resource and users' strategies. The resource follows a logistic function that depends on natural growth rate, carrying capacity, and extraction rates of cooperators and defectors. The users' strategies evolve according to different processes that capture effects of payoff, resource, and noise. We analyze the feedback between resource availability and strategic adaptation, and explores the conditions for the emergence and maintenance of cooperation. We find different processes lead to different regimes of equilibrium solutions and resource levels depending on the parameter configuration and initial conditions. We also show that some processes can enhance the sustainability of the resource by making the users more responsive to the resource scarcity. The paper advances the understanding of human-environmental system and offers insights for resource governance policies and interventions.

The rapid growth of large language models (LLMs) with diverse capabilities, costs, and domains has created a critical need for intelligent model selection at inference time. While smaller models suffice for routine queries, complex tasks demand more capable models. However, static model deployment does not account for the complexity and domain of incoming queries, leading to suboptimal performance and increased costs. Dynamic routing systems that adaptively select models based on query characteristics have emerged as a solution to this challenge. We provide a systematic analysis of state-of-the-art multi-LLM routing and cascading approaches. In contrast to mixture-of-experts architectures, which route within a single model, we study routing across multiple independently trained LLMs. We cover diverse routing paradigms, including query difficulty, human preferences, clustering, uncertainty quantification, reinforcement learning, multimodality, and cascading. For each paradigm, we analyze representative methods and examine key trade-offs. Beyond taxonomy, we introduce a conceptual framework that characterizes routing systems along three dimensions: when decisions are made, what information is used, and how they are computed. This perspective highlights that practical systems are often compositional, integrating multiple paradigms under operational constraints. Our analysis demonstrates that effective multi-LLM routing requires balancing competing objectives. Choosing the optimal routing strategy depends on deployment and computational constraints. Well-designed routing systems can outperform even the most powerful individual models by strategically leveraging specialized capabilities across models while maximizing efficiency gains. Meanwhile, open challenges remain in developing routing mechanisms that generalize across diverse architectures, modalities, and applications.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

We develop a discipline-agnostic emergence calculus that treats theories as fixed points of idempotent operators acting on descriptions. We show that, once processes are composable but access to the underlying system is mediated by a bounded observational interface, a canonical toolkit of six closure-changing primitives (P1--P6) is unavoidable. The framework unifies order-theoretic closure operators with dynamics-induced endomaps E_{τ,f} built from a Markov kernel, a coarse-graining lens, and a time scale τ. We introduce a computable total-variation idempotence defect for E_{τ,f}; small retention error implies approximate idempotence and yields stable "objects" packaged at the chosen τ within a fixed lens. For directionality, we define an arrow-of-time functional as the path-space KL divergence between forward and time-reversed trajectories and prove it is monotone under coarse-graining (data processing); we also formalize a protocol-trap audit showing that protocol holonomy alone cannot sustain asymmetry without a genuine affinity in the lifted dynamics. Finally, we prove a finite forcing-style counting lemma: relative to a partition-based theory, definable predicate extensions are exponentially rare, giving a clean anti-saturation mechanism for strict ladder climbing.

In this work we take a Category Theoretic perspective on the relationship between probabilistic modeling and function approximation. We begin by defining two extensions of function composition to stochastic process subordination: one based on the co-Kleisli category under the comonad (Omega x -) and one based on the parameterization of a category with a Lawvere theory. We show how these extensions relate to the category Stoch and other Markov Categories. Next, we apply the Para construction to extend stochastic processes to parameterized statistical models and we define a way to compose the likelihood functions of these models. We conclude with a demonstration of how the Maximum Likelihood Estimation procedure defines an identity-on-objects functor from the category of statistical models to the category of Learners. Code to accompany this paper can be found at https://github.com/dshieble/Categorical_Stochastic_Processes_and_Likelihood

We introduce new differentially private (DP) mechanisms for gradient-based machine learning (ML) with multiple passes (epochs) over a dataset, substantially improving the achievable privacy-utility-computation tradeoffs. We formalize the problem of DP mechanisms for adaptive streams with multiple participations and introduce a non-trivial extension of online matrix factorization DP mechanisms to our setting. This includes establishing the necessary theory for sensitivity calculations and efficient computation of optimal matrices. For some applications like >!! 10,000 SGD steps, applying these optimal techniques becomes computationally expensive. We thus design an efficient Fourier-transform-based mechanism with only a minor utility loss. Extensive empirical evaluation on both example-level DP for image classification and user-level DP for language modeling demonstrate substantial improvements over all previous methods, including the widely-used DP-SGD . Though our primary application is to ML, our main DP results are applicable to arbitrary linear queries and hence may have much broader applicability.

As AI systems move from generating text to accomplishing goals through sustained interaction, the ability to model environment dynamics becomes a central bottleneck. Agents that manipulate objects, navigate software, coordinate with others, or design experiments require predictive environment models, yet the term world model carries different meanings across research communities. We introduce a "levels x laws" taxonomy organized along two axes. The first defines three capability levels: L1 Predictor, which learns one-step local transition operators; L2 Simulator, which composes them into multi-step, action-conditioned rollouts that respect domain laws; and L3 Evolver, which autonomously revises its own model when predictions fail against new evidence. The second identifies four governing-law regimes: physical, digital, social, and scientific. These regimes determine what constraints a world model must satisfy and where it is most likely to fail. Using this framework, we synthesize over 400 works and summarize more than 100 representative systems spanning model-based reinforcement learning, video generation, web and GUI agents, multi-agent social simulation, and AI-driven scientific discovery. We analyze methods, failure modes, and evaluation practices across level-regime pairs, propose decision-centric evaluation principles and a minimal reproducible evaluation package, and outline architectural guidance, open problems, and governance challenges. The resulting roadmap connects previously isolated communities and charts a path from passive next-step prediction toward world models that can simulate, and ultimately reshape, the environments in which agents operate.

We introduce a framework based on bilevel programming that unifies gradient-based hyperparameter optimization and meta-learning. We show that an approximate version of the bilevel problem can be solved by taking into explicit account the optimization dynamics for the inner objective. Depending on the specific setting, the outer variables take either the meaning of hyperparameters in a supervised learning problem or parameters of a meta-learner. We provide sufficient conditions under which solutions of the approximate problem converge to those of the exact problem. We instantiate our approach for meta-learning in the case of deep learning where representation layers are treated as hyperparameters shared across a set of training episodes. In experiments, we confirm our theoretical findings, present encouraging results for few-shot learning and contrast the bilevel approach against classical approaches for learning-to-learn.

Recent years have seen a growing interest and adoption of LLMs, with muTransfer becoming a key technique for tuning hyperparameters in large-scale training. Meanwhile, Mixture-of-Experts (MoE) has emerged as a leading architecture in extremely large models. However, the intersection of these two advancements has remained unexplored. In this work, we derive a mu-Parameterization (muP) for MoE, providing theoretical guarantees for feature learning across model widths in both the router and experts. We empirically validate our parameterization and further investigate how scaling the number of experts and granularity affects the optimal learning rate.

Mixture-of-Experts (MoE) layers are increasingly central to frontier model architectures. By selectively activating parameters, they reduce computational cost while scaling total parameter count. This paper investigates the impact of the number of active experts, termed granularity, comparing architectures with many (e.g., 8 per layer in DeepSeek) to those with fewer (e.g., 1 per layer in Llama-4 models). We prove an exponential separation in network expressivity based on this design parameter, suggesting that models benefit from higher granularity. Experimental results corroborate our theoretical findings and illustrate this separation.

In a compound AI system, components such as an LLM call, a retriever, a code interpreter, or tools are interconnected. The system's behavior is primarily driven by parameters such as instructions or tool definitions. Recent advancements enable end-to-end optimization of these parameters using an LLM. Notably, leveraging an LLM as an optimizer is particularly efficient because it avoids gradient computation and can generate complex code and instructions. This paper presents a survey of the principles and emerging trends in LLM-based optimization of compound AI systems. It covers archetypes of compound AI systems, approaches to LLM-based end-to-end optimization, and insights into future directions and broader impacts. Importantly, this survey uses concepts from program analysis to provide a unified view of how an LLM optimizer is prompted to optimize a compound AI system. The exhaustive list of paper is provided at https://github.com/linyuhongg/LLM-based-Optimization-of-Compound-AI-Systems.

We present a neural framework for learning conditional optimal transport (OT) maps between probability distributions. Our approach introduces a conditioning mechanism capable of processing both categorical and continuous conditioning variables simultaneously. At the core of our method lies a hypernetwork that generates transport layer parameters based on these inputs, creating adaptive mappings that outperform simpler conditioning methods. Comprehensive ablation studies demonstrate the superior performance of our method over baseline configurations. Furthermore, we showcase an application to global sensitivity analysis, offering high performance in computing OT-based sensitivity indices. This work advances the state-of-the-art in conditional optimal transport, enabling broader application of optimal transport principles to complex, high-dimensional domains such as generative modeling and black-box model explainability.

A modular design encourages neural models to disentangle and recombine different facets of knowledge to generalise more systematically to new tasks. In this work, we assume that each task is associated with a subset of latent discrete skills from a (potentially small) inventory. In turn, skills correspond to parameter-efficient (sparse / low-rank) model parameterisations. By jointly learning these and a task-skill allocation matrix, the network for each task is instantiated as the average of the parameters of active skills. To favour non-trivial soft partitions of skills across tasks, we experiment with a series of inductive biases, such as an Indian Buffet Process prior and a two-speed learning rate. We evaluate our latent-skill model on two main settings: 1) multitask reinforcement learning for grounded instruction following on 8 levels of the BabyAI platform; and 2) few-shot adaptation of pre-trained text-to-text generative models on CrossFit, a benchmark comprising 160 NLP tasks. We find that the modular design of a network significantly increases sample efficiency in reinforcement learning and few-shot generalisation in supervised learning, compared to baselines with fully shared, task-specific, or conditionally generated parameters where knowledge is entangled across tasks. In addition, we show how discrete skills help interpretability, as they yield an explicit hierarchy of tasks.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

The conventional approach in differential privacy (DP) literature formulates the privacy-utility trade-off with a "privacy-first" perspective: for a predetermined level of privacy, a certain utility is achievable. However, practitioners often operate under a "utility-first" paradigm, prioritizing a desired level of utility and then determining the corresponding privacy cost. Wu et al. [2019] initiated a formal study of this "utility-first" perspective by introducing ex-post DP. They demonstrated that by adding correlated Laplace noise and progressively reducing it on demand, a sequence of increasingly accurate estimates of a private parameter can be generated, with the privacy cost attributed only to the least noisy iterate released. This led to a Laplace mechanism variant that achieves a specified utility with minimal privacy loss. However, their work, and similar findings by Whitehouse et al. [2022], are primarily limited to simple mechanisms based on Laplace or Gaussian noise. In this paper, we significantly generalize these results. In particular, we extend the work of Wu et al. [2019] and Liu and Talwar [2019] to support any sequence of private estimators, incurring at most a doubling of the original privacy budget. Furthermore, we demonstrate that hyperparameter tuning for these estimators, including the selection of an optimal privacy budget, can be performed without additional privacy cost. Finally, we extend our results to ex-post Renyi DP, further broadening the applicability of utility-first privacy mechanisms.

Federated learning (FL) allows mutually untrusted clients to collaboratively train a common machine learning model without sharing their private/proprietary training data among each other. FL is unfortunately susceptible to poisoning by malicious clients who aim to hamper the accuracy of the commonly trained model through sending malicious model updates during FL's training process. We argue that the key factor to the success of poisoning attacks against existing FL systems is the large space of model updates available to the clients, allowing malicious clients to search for the most poisonous model updates, e.g., by solving an optimization problem. To address this, we propose Federated Rank Learning (FRL). FRL reduces the space of client updates from model parameter updates (a continuous space of float numbers) in standard FL to the space of parameter rankings (a discrete space of integer values). To be able to train the global model using parameter ranks (instead of parameter weights), FRL leverage ideas from recent supermasks training mechanisms. Specifically, FRL clients rank the parameters of a randomly initialized neural network (provided by the server) based on their local training data. The FRL server uses a voting mechanism to aggregate the parameter rankings submitted by clients in each training epoch to generate the global ranking of the next training epoch. Intuitively, our voting-based aggregation mechanism prevents poisoning clients from making significant adversarial modifications to the global model, as each client will have a single vote! We demonstrate the robustness of FRL to poisoning through analytical proofs and experimentation. We also show FRL's high communication efficiency. Our experiments demonstrate the superiority of FRL in real-world FL settings.

Interpretability research aims to bridge the gap between empirical success and our scientific understanding of the inner workings of large language models (LLMs). However, most existing research focuses on analyzing a single mechanism, such as how models copy or recall factual knowledge. In this work, we propose a formulation of competition of mechanisms, which focuses on the interplay of multiple mechanisms instead of individual mechanisms and traces how one of them becomes dominant in the final prediction. We uncover how and where mechanisms compete within LLMs using two interpretability methods: logit inspection and attention modification. Our findings show traces of the mechanisms and their competition across various model components and reveal attention positions that effectively control the strength of certain mechanisms. Code: https://github.com/francescortu/comp-mech. Data: https://huggingface.co/datasets/francescortu/comp-mech.

Post-training pretrained autoregressive models (ARMs) into masked diffusion models (MDMs) has emerged as a cost-effective way to overcome the limitations of sequential generation. Yet the internal algorithmic changes induced by this shift remain poorly understood, leaving it unclear whether post-trained MDMs acquire genuine bidirectional reasoning or merely repackage autoregressive heuristics. We address this question through a comparative circuit analysis of ARMs and their MDM counterparts. Our analysis reveals a systematic "mechanism shift" that depends on the structural nature of the task. MDMs largely preserve autoregressive circuitry for tasks driven by local causal dependencies, but for global planning tasks they abandon initialized pathways and exhibit distinct rewiring with increased early-layer processing. At the semantic level, we observe a transition from sharp, localized specialization in ARMs to distributed integration in MDMs. These findings show that diffusion post-training does not simply adjust model parameters, but reorganizes internal computation to support non-sequential global planning.

Large Language Model (LLM) agents have emerged as powerful tools for automating complex tasks by leveraging the reasoning and decision-making abilities of LLMs. However, a major bottleneck in current agent frameworks lies in the high inference cost of tool selection, especially in approaches like ReAct that repeatedly invoke the LLM to determine which tool to use at each step. In this work, we propose AutoTool, a novel graph-based framework that bypasses repeated LLM inference by exploiting a key empirical observation: tool usage inertia - the tendency of tool invocations to follow predictable sequential patterns. AutoTool constructs a directed graph from historical agent trajectories, where nodes represent tools and edges capture transition probabilities, effectively modeling the inertia in tool selection. It further integrates parameter-level information to refine tool input generation. By traversing this structured representation, AutoTool efficiently selects tools and their parameters with minimal reliance on LLM inference. Extensive experiments across diverse agent tasks demonstrate that AutoTool reduces inference costs by up to 30% while maintaining competitive task completion rates, offering a practical and scalable enhancement for inference-heavy frameworks. Our work highlights the promise of integrating statistical structure into LLM agent design for greater efficiency without sacrificing performance.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

The Mixture-of-Experts (MoE) paradigm has emerged as a powerful approach for scaling transformers with improved resource utilization. However, efficiently fine-tuning MoE models remains largely underexplored. Inspired by recent works on Parameter-Efficient Fine-Tuning (PEFT), we present a unified framework for integrating PEFT modules directly into the MoE mechanism. Aligning with the core principles and architecture of MoE, our framework encompasses a set of design dimensions including various functional and composition strategies. By combining design choices within our framework, we introduce Parameter-Efficient Routed Fine-Tuning (PERFT) as a flexible and scalable family of PEFT strategies tailored for MoE models. Extensive experiments on adapting OLMoE-1B-7B and Mixtral-8times7B for commonsense and arithmetic reasoning tasks demonstrate the effectiveness, scalability, and intriguing dynamics of PERFT. Additionally, we provide empirical findings for each specific design choice to facilitate better application of MoE and PEFT.

Model-based reinforcement learning promises to learn an optimal policy from fewer interactions with the environment compared to model-free reinforcement learning by learning an intermediate model of the environment in order to predict future interactions. When predicting a sequence of interactions, the rollout length, which limits the prediction horizon, is a critical hyperparameter as accuracy of the predictions diminishes in the regions that are further away from real experience. As a result, with a longer rollout length, an overall worse policy is learned in the long run. Thus, the hyperparameter provides a trade-off between quality and efficiency. In this work, we frame the problem of tuning the rollout length as a meta-level sequential decision-making problem that optimizes the final policy learned by model-based reinforcement learning given a fixed budget of environment interactions by adapting the hyperparameter dynamically based on feedback from the learning process, such as accuracy of the model and the remaining budget of interactions. We use model-free deep reinforcement learning to solve the meta-level decision problem and demonstrate that our approach outperforms common heuristic baselines on two well-known reinforcement learning environments.

As LLM agents increasingly select tools autonomously, their choices among tools with different privileges become safety-relevant. However, prior tool-selection studies focus on safety-agnostic metadata preferences, leaving privilege-sensitive choices underexplored. To address this gap, we study over-privileged tool selection, in which an agent selects or escalates to a higher-privilege tool despite a sufficient lower-privilege alternative. We introduce ToolPrivBench to evaluate whether agents choose higher-privilege tools despite sufficient lower-privilege alternatives, measuring both initial selection and escalation after transient tool failures. Across eight domains and five recurring risk patterns, we find that over-privileged tool selection is common among mainstream LLM agents and is further amplified by transient failures. We further find that general safety alignment does not reliably transfer to least-privilege tool choice, while prompt-level controls provide only limited mitigation under transient failures. We therefore introduce a privilege-aware post-training defense that teaches agents to prefer sufficient lower-privilege tools and escalate only when necessary. Our mitigation experiments show that this defense substantially reduces unnecessary high-privilege tool use while preserving general capabilities.

We study the problem of efficiently generating differentially private synthetic data that approximate the statistical properties of an underlying sensitive dataset. In recent years, there has been a growing line of work that approaches this problem using first-order optimization techniques. However, such techniques are restricted to optimizing differentiable objectives only, severely limiting the types of analyses that can be conducted. For example, first-order mechanisms have been primarily successful in approximating statistical queries only in the form of marginals for discrete data domains. In some cases, one can circumvent such issues by relaxing the task's objective to maintain differentiability. However, even when possible, these approaches impose a fundamental limitation in which modifications to the minimization problem become additional sources of error. Therefore, we propose Private-GSD, a private genetic algorithm based on zeroth-order optimization heuristics that do not require modifying the original objective. As a result, it avoids the aforementioned limitations of first-order optimization. We empirically evaluate Private-GSD against baseline algorithms on data derived from the American Community Survey across a variety of statistics--otherwise known as statistical queries--both for discrete and real-valued attributes. We show that Private-GSD outperforms the state-of-the-art methods on non-differential queries while matching accuracy in approximating differentiable ones.

A central premise in mechanistic interpretability is that meaningful concepts in language models are represented by linear features in activation space. For such features to support reliable interventions, manipulating one feature should not substantially alter the effects of others. In practice, however, feature entanglement leads to interference such that localized interventions can have unintended downstream effects. Motivated by the Independent Causal Mechanisms principle, we propose to constrain internal features to be almost orthogonal. We argue that this promotes modular representations amenable to causal intervention. We formalize this problem by characterizing the gap between an idealized isolated intervention and its realized effect on model outputs in terms of feature interference. We upper-bound the propagation of feature interference in terms of the self-coherence of the feature dictionary, and relate this discrepancy to an explicit orthogonality regularization on the dictionary itself. Empirically, we show that this regularization enables more isolated interventions on mathematical reasoning concepts while preserving model performance. Our code is available under https://github.com/mrtzmllr/sae-icm.

Time series forecasting models are increasingly scaled through large Transformer backbones, yet most existing approaches process all series through a shared dense computation path despite substantial heterogeneity in temporal structure. Mixture-of-Experts (MoE) offers a natural alternative by enabling conditional computation, but standard MoE routing leaves expert specialization weakly identified and often unstable during downstream adaptation. We propose AME-TS, a structure-guided sparse time series foundation model that aligns expert routing with interpretable temporal structure. AME-TS first uses a lightweight regime predictor to estimate series-level descriptors, including forecastability, seasonality, trend, and sparsity, and maps them to a soft structural prior over experts. This series-level prior guides token-level routing during training, encouraging structure-aligned specialization. On the GIFT-Eval benchmark, AME-TS delivers a strong accuracy-efficiency tradeoff across model scales: it substantially outperforms existing time series foundation models at small model scales and remains competitive with the strongest models at larger scales, while activating substantially fewer parameters through sparse routing. We further show that AME-TS learns more interpretable routing geometry and substantially more stable expert specialization than standard MoE during fine-tuning on the M5 dataset. These results suggest that structure-aware routing is an effective and reliable way to realize the benefits of sparse expert models for time series forecasting.

A fundamental tension exists in the large-step inference of diffusion models via their deterministic probability flow ordinary differential equation (PF-ODE) trajectories, which we identify as the contractivity trap: efficient inference favors large step sizes, while aggressive steps and highly expressive denoisers can undermine contraction-based stability certificates for error suppression. To address this, we propose SteinDiff, a step-wise inference-time stabilization framework that employs Stein-derived corrections without requiring reference samples. Specifically, SteinDiff introduces a geometry-aware residual correction mechanism that regularizes large-step solver updates without retraining. To this end, we derive a closed-form Stein correction coefficient for step-wise solver adjustment, enabling reference-free adaptation to local data geometry. We further establish a score-controlled perturbation bound under distributional shifts and provide a complementary Stein perspective on EDM-style parameterizations. Extensive experiments demonstrate that SteinDiff mitigates severe artifacts and improves generative quality across large-step inference settings.

The mechanism by which RL contributes to reasoning capabilities-whether it incentivizes the synthesis of new skills or merely amplifies existing behaviors-remains a subject of intense debate. In this work, we investigate this question through the lens of Complementary Reasoning, a complex task that requires integrating internal parametric knowledge with external contextual information. Using a controlled synthetic dataset of human biographies, we strictly decouple this ability into two atomic skills: Parametric Reasoning (relying on internal knowledge) and Contextual Reasoning (depending on external information). To rigorously assess capability boundaries, we evaluate generalization across three distinct levels of difficulty: I.I.D., Composition, and Zero-shot settings. We find that while SFT is sufficient for in-distribution performance, it struggles with O.O.D. generalization, particularly in Zero-shot settings where relational combinations are novel. Crucially, we identify the SFT Generalization Paradox: Models supervised solely on the composite task achieve near-perfect in-distribution accuracy but collapse on out-of-distribution generalization, indicating their reliance on rote memorization of path shortcuts. In contrast, we find that RL acts as a reasoning synthesizer rather than a probability amplifier. However, we uncover a strict atomic prerequisite: RL can only synthesize these complex strategies if the base model has first mastered the independent atomic skills (Parametric and Contextual) via SFT. These findings challenge the view of RL as a mere amplifier, suggesting that given sufficient atomic foundations, RL can actively synthesize complex reasoning strategies from learned primitives without explicit supervision on such complex strategies. This indicates that decoupled atomic training followed by RL offers a scalable path to generalization for complex reasoning tasks.

Code efficiency is a fundamental aspect of software quality, yet how to harness large language models (LLMs) to optimize programs remains challenging. Prior approaches have sought for one-shot rewriting, retrieved exemplars, or prompt-based search, but they do not explicitly distill reusable optimization knowledge, which limits generalization beyond individual instances. In this paper, we present EffiSkill, a framework for code-efficiency optimization that builds a portable optimization toolbox for LLM-based agents. The key idea is to model recurring slow-to-fast transformations as reusable agent skills that capture both concrete transformation mechanisms and higher-level optimization strategies. EffiSkill adopts a two-stage design: Stage I mines Operator and Meta Skills from large-scale slow/fast program pairs to build a skill library; Stage II applies this library to unseen programs through execution-free diagnosis, skill retrieval, plan composition, and candidate generation, without runtime feedback. Results on EffiBench-X show that EffiSkill achieves higher optimization success rates, improving over the strongest baseline by 3.69 to 12.52 percentage points across model and language settings. These findings suggest that mechanism-level skill reuse provides a useful foundation for execution-free code optimization, and that the resulting skill library can serve as a reusable resource for broader agent workflows.

A key step in reverse engineering neural networks is to decompose them into simpler parts that can be studied in relative isolation. Linear parameter decomposition -- a framework that has been proposed to resolve several issues with current decomposition methods -- decomposes neural network parameters into a sum of sparsely used vectors in parameter space. However, the current main method in this framework, Attribution-based Parameter Decomposition (APD), is impractical on account of its computational cost and sensitivity to hyperparameters. In this work, we introduce Stochastic Parameter Decomposition (SPD), a method that is more scalable and robust to hyperparameters than APD, which we demonstrate by decomposing models that are slightly larger and more complex than was possible to decompose with APD. We also show that SPD avoids other issues, such as shrinkage of the learned parameters, and better identifies ground truth mechanisms in toy models. By bridging causal mediation analysis and network decomposition methods, this demonstration opens up new research possibilities in mechanistic interpretability by removing barriers to scaling linear parameter decomposition methods to larger models. We release a library for running SPD and reproducing our experiments at https://github.com/goodfire-ai/spd.

Algorithm performance in combinatorial optimization is highly sensitive to parameter settings, while a single globally tuned configuration often fails to exploit the heterogeneity of instances. This limitation is particularly evident in the Electric Capacitated Vehicle Routing Problem, where instances differ in structure, demand patterns, and energy constraints. This paper investigates instance-aware parameter configuration for Bilevel Late Acceptance Hill Climbing, a state-of-the-art metaheuristic for the Electric Capacitated Vehicle Routing Problem. An offline tuning procedure is used to obtain instance-specific parameter labels, which are then mapped from instance features via a regression model to enable parameter prediction for unseen instances prior to execution. Experimental results on the IEEE WCCI 2020 benchmark and its extensions show that the proposed approach achieves an average objective value reduction of 0.28% across eight held-out test instances relative to a globally tuned configuration. This corresponds to a significant cost reduction in multimillion-dollar transportation operations.

Class-Incremental Learning (CIL) requires models to continually acquire knowledge of new classes without forgetting old ones. Despite Pre-trained Models (PTMs) have shown excellent performance in CIL, catastrophic forgetting still occurs as the model learns new concepts. Existing work seeks to utilize lightweight components to adjust the PTM, while the forgetting phenomenon still comes from {\em parameter and retrieval} levels. Specifically, iterative updates of the model result in parameter drift, while mistakenly retrieving irrelevant modules leads to the mismatch during inference. To this end, we propose MOdel Surgery (MOS) to rescue the model from forgetting previous knowledge. By training task-specific adapters, we continually adjust the PTM to downstream tasks. To mitigate parameter-level forgetting, we present an adapter merging approach to learn task-specific adapters, which aims to bridge the gap between different components while reserve task-specific information. Besides, to address retrieval-level forgetting, we introduce a training-free self-refined adapter retrieval mechanism during inference, which leverages the model's inherent ability for better adapter retrieval. By jointly rectifying the model with those steps, MOS can robustly resist catastrophic forgetting in the learning process. Extensive experiments on seven benchmark datasets validate MOS's state-of-the-art performance. Code is available at: https://github.com/sun-hailong/AAAI25-MOS

Data-driven algorithm design automates hyperparameter tuning, but its statistical foundations remain limited because model performance can depend on hyperparameters in implicit and highly non-smooth ways. Existing guarantees focus on the simple case of a one-dimensional (scalar) hyperparameter. This leaves the practically important, multi-dimensional hyperparameter tuning setting unresolved. We address this open question by establishing the first general framework for establishing generalization guarantees for tuning multi-dimensional hyperparameters in data-driven settings. Our approach strengthens the generalization guarantee framework for semi-algebraic function classes by exploiting tools from real algebraic geometry, yielding sharper, more broadly applicable guarantees. For completeness, we also instantiate the first lower bound for this general setting. We further extend the analysis to hyperparameter tuning using the validation loss under minimal assumptions, and derive improved bounds when additional structure is available. Finally, we demonstrate the scope of the framework with new learnability results, including data-driven weighted group lasso and weighted fused lasso.

Online display advertising platforms service numerous advertisers by providing real-time bidding (RTB) for the scale of billions of ad requests every day. The bidding strategy handles ad requests cross multiple channels to maximize the number of clicks under the set financial constraints, i.e., total budget and cost-per-click (CPC), etc. Different from existing works mainly focusing on single channel bidding, we explicitly consider cross-channel constrained bidding with budget allocation. Specifically, we propose a hierarchical offline deep reinforcement learning (DRL) framework called ``HiBid'', consisted of a high-level planner equipped with auxiliary loss for non-competitive budget allocation, and a data augmentation enhanced low-level executor for adaptive bidding strategy in response to allocated budgets. Additionally, a CPC-guided action selection mechanism is introduced to satisfy the cross-channel CPC constraint. Through extensive experiments on both the large-scale log data and online A/B testing, we confirm that HiBid outperforms six baselines in terms of the number of clicks, CPC satisfactory ratio, and return-on-investment (ROI). We also deploy HiBid on Meituan advertising platform to already service tens of thousands of advertisers every day.

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy-step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.