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.

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.

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.

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.

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.

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 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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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 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.

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.

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.

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.

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.

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.

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.

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.

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.

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/.

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.

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.

Diffusion models excel in generating images that closely resemble their training data but are also susceptible to data memorization, raising privacy, ethical, and legal concerns, particularly in sensitive domains such as medical imaging. We hypothesize that this memorization stems from the overparameterization of deep models and propose that regularizing model capacity during fine-tuning can mitigate this issue. Firstly, we empirically show that regulating the model capacity via Parameter-efficient fine-tuning (PEFT) mitigates memorization to some extent, however, it further requires the identification of the exact parameter subsets to be fine-tuned for high-quality generation. To identify these subsets, we introduce a bi-level optimization framework, MemControl, that automates parameter selection using memorization and generation quality metrics as rewards during fine-tuning. The parameter subsets discovered through MemControl achieve a superior tradeoff between generation quality and memorization. For the task of medical image generation, our approach outperforms existing state-of-the-art memorization mitigation strategies by fine-tuning as few as 0.019% of model parameters. Moreover, we demonstrate that the discovered parameter subsets are transferable to non-medical domains. Our framework is scalable to large datasets, agnostic to reward functions, and can be integrated with existing approaches for further memorization mitigation. To the best of our knowledge, this is the first study to empirically evaluate memorization in medical images and propose a targeted yet universal mitigation strategy. The code is available at https://github.com/Raman1121/Diffusion_Memorization_HPO.

LLM-based web agents have recently made significant progress, but much of it has occurred in closed-source systems, widening the gap with open-source alternatives. Progress has been held back by two key challenges: first, a narrow focus on single-step tasks that overlooks the complexity of multi-step web interactions; and second, the high compute costs required to post-train LLM-based web agents. To address this, we present the first statistically grounded study on compute allocation for LLM web-agent post-training. Our approach uses a two-stage pipeline, training a Llama 3.1 8B student to imitate a Llama 3.3 70B teacher via supervised fine-tuning (SFT), followed by on-policy reinforcement learning. We find this process highly sensitive to hyperparameter choices, making exhaustive sweeps impractical. To spare others from expensive trial-and-error, we sample 1,370 configurations and use bootstrapping to estimate effective hyperparameters. Our results show that combining SFT with on-policy RL consistently outperforms either approach alone on both WorkArena and MiniWob++. Further, this strategy requires only 55% of the compute to match the peak performance of pure SFT on MiniWob++, effectively pushing the compute-performance Pareto frontier, and is the only strategy that can close the gap with closed-source models.

Evolutionary agentic systems intensify the trade-off between computational efficiency and reasoning capability by repeatedly invoking large language models (LLMs) during inference. This setting raises a central question: how can an agent dynamically select an LLM that is sufficiently capable for the current generation step while remaining computationally efficient? While model cascades offer a practical mechanism for balancing this trade-off, existing routing strategies typically rely on static heuristics or external controllers and do not explicitly account for model uncertainty. We introduce AdaptEvolve: Adaptive LLM Selection for Multi-LLM Evolutionary Refinement within an evolutionary sequential refinement framework that leverages intrinsic generation confidence to estimate real-time solvability. Empirical results show that confidence-driven selection yields a favourable Pareto frontier, reducing total inference cost by an average of 37.9% across benchmarks while retaining 97.5% of the upper-bound accuracy of static large-model baselines. Our code is available at https://github.com/raypretam/adaptive_llm_selection.

Sequential learning paradigms pose challenges for gradient-based deep learning due to difficulties incorporating new data and retaining prior knowledge. While Gaussian processes elegantly tackle these problems, they struggle with scalability and handling rich inputs, such as images. To address these issues, we introduce a technique that converts neural networks from weight space to function space, through a dual parameterization. Our parameterization offers: (i) a way to scale function-space methods to large data sets via sparsification, (ii) retention of prior knowledge when access to past data is limited, and (iii) a mechanism to incorporate new data without retraining. Our experiments demonstrate that we can retain knowledge in continual learning and incorporate new data efficiently. We further show its strengths in uncertainty quantification and guiding exploration in model-based RL. Further information and code is available on the project website.

Large reasoning models (LRMs) have recently shown promise in solving complex math problems when optimized with Reinforcement Learning (RL). But conventional approaches rely on outcome-only rewards that provide sparse feedback, resulting in inefficient optimization process. In this work, we investigate the function of process reward models (PRMs) to accelerate the RL training for LRMs. We propose a novel intrinsic signal-driven generative process evaluation mechanism operating at the thought level to address major bottlenecks in RL-based training. Specifically, instead of requiring PRMs to know how to solve problems, our method uses intrinsic signals in solutions to judge stepwise correctness and aggregate contiguous correct/incorrect steps into coherent 'thought' units. This structured, thought-level rewards enable more reliable credit assignment by reducing ambiguity in step segmentation and alleviating reward hacking. We further introduce a capability-adaptive reward mechanism that dynamically balances exploration and exploitation based on the LRM's current proficiency, guiding learning without stifling creative trial-and-error. These innovations are integrated into a new off-policy RL algorithm, TP-GRPO, which extends grouped proximal optimization with process-based rewards and improves training efficiency. Experiments on 1.5B and 7B parameter LRMs demonstrate that our method achieves higher problem-solving accuracy with significantly fewer training samples than outcome-only reward baselines. The results validate that well-structured process rewards can substantially accelerate LRM optimization in math reasoning tasks. Code is available at https://github.com/cs-holder/tp_grpo.

Large reasoning models achieve remarkable performance through extensive chain-of-thought generation, yet exhibit significant computational inefficiency by applying uniform reasoning strategies regardless of problem complexity. We present Hierarchical Budget Policy Optimization (HBPO), a reinforcement learning framework that enables models to learn problem-specific reasoning depths without sacrificing capability. HBPO addresses the fundamental challenge of exploration space collapse in efficiency-oriented training, where penalties on long output length systematically bias models away from necessary long reasoning paths. Through hierarchical budget exploration, our approach partitions rollout samples into multiple subgroups with distinct token budgets, aiming to enable efficient resource allocation while preventing degradation of capability. We introduce differentiated reward mechanisms that create budget-aware incentives aligned with the complexity of the problem, allowing models to discover natural correspondences between task requirements and computational effort. Extensive experiments demonstrate that HBPO reduces average token usage by up to 60.6% while improving accuracy by 3.14% across four reasoning benchmarks. Unlike existing methods that impose external constraints or rely on discrete mode selection, HBPO exhibits emergent adaptive behavior where models automatically adjust reasoning depth based on problem complexity. Our results suggest that reasoning efficiency and capability are not inherently conflicting, and can be simultaneously optimized through appropriately structured hierarchical training that preserves exploration diversity.

Second-order optimization has been developed to accelerate the training of deep neural networks and it is being applied to increasingly larger-scale models. In this study, towards training on further larger scales, we identify a specific parameterization for second-order optimization that promotes feature learning in a stable manner even if the network width increases significantly. Inspired by a maximal update parameterization, we consider a one-step update of the gradient and reveal the appropriate scales of hyperparameters including random initialization, learning rates, and damping terms. Our approach covers two major second-order optimization algorithms, K-FAC and Shampoo, and we demonstrate that our parameterization achieves higher generalization performance in feature learning. In particular, it enables us to transfer the hyperparameters across models with different widths.

Large language models (LLMs) have recently gained significant attention as a promising approach to accelerate scientific discovery. However, their application in open-ended scientific domains such as biology remains limited, primarily due to the lack of factually grounded and actionable explanations. To address this, we introduce a structured explanation formalism for virtual cells that represents biological reasoning as mechanistic action graphs, enabling systematic verification and falsification. Building upon this, we propose VCR-Agent, a multi-agent framework that integrates biologically grounded knowledge retrieval with a verifier-based filtering approach to generate and validate mechanistic reasoning autonomously. Using this framework, we release VC-TRACES dataset, which consists of verified mechanistic explanations derived from the Tahoe-100M atlas. Empirically, we demonstrate that training with these explanations improves factual precision and provides a more effective supervision signal for downstream gene expression prediction. These results underscore the importance of reliable mechanistic reasoning for virtual cells, achieved through the synergy of multi-agent and rigorous verification.

Mixture-of-Experts (MoE) models are typically pre-trained with explicit load-balancing constraints to ensure statistically balanced expert routing. Despite this, we observe that even well-trained MoE models exhibit significantly imbalanced routing. This behavior is arguably natural-and even desirable - as imbalanced routing allows models to concentrate domain-specific knowledge within a subset of experts. Expert parallelism (EP) is designed to scale MoE models by distributing experts across multiple devices, but with a less-discussed assumption of balanced routing. Under extreme imbalance, EP can funnel a disproportionate number of tokens to a small number of experts, leading to compute- and memory-bound failures on overloaded devices during post-training or inference, where explicit load balancing is often inapplicable. We propose Least-Loaded Expert Parallelism (LLEP), a novel EP algorithm that dynamically reroutes excess tokens and associated expert parameters from overloaded devices to underutilized ones. This ensures that all devices complete their workloads within the minimum collective latency while respecting memory constraints. Across different model scales, LLEP achieves up to 5x speedup and 4x reduction in peak memory usage compared to standard EP. This enables faster and higher-throughput post-training and inference, with ~1.9x faster for gpt-oss-120b. We support our method with extensive theoretical analysis and comprehensive empirical evaluations, including ablation studies. These results illuminate key trade-offs and enable a principled framework for hardware-specific hyper-parameter tuning to achieve optimal performance.

Value-based methods constitute a fundamental methodology in planning and deep reinforcement learning (RL). In this paper, we propose to exploit the underlying structures of the state-action value function, i.e., Q function, for both planning and deep RL. In particular, if the underlying system dynamics lead to some global structures of the Q function, one should be capable of inferring the function better by leveraging such structures. Specifically, we investigate the low-rank structure, which widely exists for big data matrices. We verify empirically the existence of low-rank Q functions in the context of control and deep RL tasks. As our key contribution, by leveraging Matrix Estimation (ME) techniques, we propose a general framework to exploit the underlying low-rank structure in Q functions. This leads to a more efficient planning procedure for classical control, and additionally, a simple scheme that can be applied to any value-based RL techniques to consistently achieve better performance on "low-rank" tasks. Extensive experiments on control tasks and Atari games confirm the efficacy of our approach. Code is available at https://github.com/YyzHarry/SV-RL.

As large language models (LLMs) evolve into autonomous agents that execute long-horizon workflows, invoking a high-capability model at every step becomes economically unsustainable. While model routing is effective for single-turn queries, agentic routing is a sequential, path-dependent problem: early mistakes compound, feedback is often at the end of the episode, and deployments often demand strict per-task spending limits. We propose Budget-Aware Agentic Routing, which selects between a cheap and an expensive model at each step to optimize the cost--success frontier and to operate under strict per-task budgets. We propose Boundary-Guided Training, which leverages two boundary policies (always-small vs.\ always-large) to build a difficulty taxonomy and to anchor learning under sparse rewards. Our approach warms start with boundary-guided SFT data synthesis via stratified sampling of cost-efficient trajectories, then applies Boundary-Guided Policy Optimization (BoPO), combining boundary-relative rewards with a reference-guided advantage to avoid degenerate cheap-failure solutions. Experiment results show that our method improves the efficiency frontier, matching strong routing baselines at substantially lower cost while demonstrating generalization to strict inference-time budget constraints. Overall, our work establishes a foundational framework for agentic routing, shifting the paradigm from static model selection to dynamic, budget-aware sequential decision-making.

We study the problem of designing mechanisms for information acquisition scenarios. This setting models strategic interactions between an uniformed receiver and a set of informed senders. In our model the senders receive information about the underlying state of nature and communicate their observation (either truthfully or not) to the receiver, which, based on this information, selects an action. Our goal is to design mechanisms maximizing the receiver's utility while incentivizing the senders to report truthfully their information. First, we provide an algorithm that efficiently computes an optimal incentive compatible (IC) mechanism. Then, we focus on the online problem in which the receiver sequentially interacts in an unknown game, with the objective of minimizing the cumulative regret w.r.t. the optimal IC mechanism, and the cumulative violation of the incentive compatibility constraints. We investigate two different online scenarios, i.e., the full and bandit feedback settings. For the full feedback problem, we propose an algorithm that guarantees mathcal O(sqrt T) regret and violation, while for the bandit feedback setting we present an algorithm that attains mathcal O(T^{alpha}) regret and mathcal O(T^{1-alpha/2}) violation for any alphain[1/2, 1]. Finally, we complement our results providing a tight lower bound.

We present a general causal generative modelling framework for accurate estimation of high fidelity image counterfactuals with deep structural causal models. Estimation of interventional and counterfactual queries for high-dimensional structured variables, such as images, remains a challenging task. We leverage ideas from causal mediation analysis and advances in generative modelling to design new deep causal mechanisms for structured variables in causal models. Our experiments demonstrate that our proposed mechanisms are capable of accurate abduction and estimation of direct, indirect and total effects as measured by axiomatic soundness of counterfactuals.

Large language models deliver strong reasoning and tool-use skills, yet their computational demands make them impractical for edge or cost-sensitive deployments. We present Xmodel-2.5, a 1.3-billion-parameter small language model designed as a drop-in agent core. Training with maximal-update parameterization (μP) allows hyper-parameters tuned on a 20M-parameter proxy to transfer directly to the full model, even under the parameter-tied tie-word-embedding architecture. A 1.4T-token Warmup--Stable--Decay curriculum is used, and we further show that switching from AdamW to Muon during the decay phase improves the 13-task reasoning average by 4.58\,\% while keeping every other hyper-parameter fixed, verifying that early AdamW stability can be paired with late Muon sharpening for better downstream performance. FP8-mixed-precision training balances accuracy and throughput. All checkpoints, recipes, and evaluation code are released under the Apache-2.0 license.https://huggingface.co/XiaoduoAILab/Xmodel-2.5 and https://huggingface.co/XiaoduoAILab/Xmodel-2.5-history (training checkpoints). Training code and evaluation harness: https://github.com/XiaoduoAILab/Xmodel-2.5.

Scaling laws for large language models depend critically on the optimizer and parameterization. Existing hyperparameter transfer laws are mainly developed for first-order optimizers, and they do not structurally prevent training instability at scale. Recent hypersphere optimization methods constrain weight matrices to a fixed-norm hypersphere, offering a promising alternative for more stable scaling. We introduce HyperP (Hypersphere Parameterization), the first framework for transferring optimal learning rates across model width, depth, training tokens, and Mixture-of-Experts (MoE) granularity under the Frobenius-sphere constraint with the Muon optimizer. We prove that weight decay is a first-order no-op on the Frobenius sphere, show that Depth-μP remains necessary, and find that the optimal learning rate follows the same data-scaling power law with the "magic exponent" 0.32 previously observed for AdamW. A single base learning rate tuned at the smallest scale transfers across all compute budgets under HyperP, yielding 1.58times compute efficiency over a strong Muon baseline at 6times10^{21} FLOPs. Moreover, HyperP delivers transferable stability: all monitored instability indicators, including Z-values, output RMS, and activation outliers, remain bounded and non-increasing under training FLOPs scaling. We also propose SqrtGate, an MoE gating mechanism derived from the hypersphere constraint that preserves output RMS across MoE granularities for improved granularity scaling, and show that hypersphere optimization enables substantially larger auxiliary load-balancing weights, yielding both strong performance and good expert balance. We release our training codebase at https://github.com/microsoft/ArchScale.

Attention mechanisms are a central property of cognitive systems allowing them to selectively deploy cognitive resources in a flexible manner. Attention has been long studied in the neurosciences and there are numerous phenomenological models that try to capture its core properties. Recently attentional mechanisms have become a dominating architectural choice of machine learning and are the central innovation of Transformers. The dominant intuition and formalism underlying their development has drawn on ideas of keys and queries in database management systems. In this work, we propose an alternative Bayesian foundation for attentional mechanisms and show how this unifies different attentional architectures in machine learning. This formulation allows to to identify commonality across different attention ML architectures as well as suggest a bridge to those developed in neuroscience. We hope this work will guide more sophisticated intuitions into the key properties of attention architectures and suggest new ones.

Recent advances in reinforcement learning for large language models have converged on increasing complexity: multi-stage training pipelines, dynamic hyperparameter schedules, and curriculum learning strategies. This raises a fundamental question: Is this complexity necessary? We present JustRL, a minimal approach using single-stage training with fixed hyperparameters that achieves state-of-the-art performance on two 1.5B reasoning models (54.9\% and 64.3\% average accuracy across nine mathematical benchmarks) while using 2times less compute than sophisticated approaches. The same hyperparameters transfer across both models without tuning, and training exhibits smooth, monotonic improvement over 4,000+ steps without the collapses or plateaus that typically motivate interventions. Critically, ablations reveal that adding ``standard tricks'' like explicit length penalties and robust verifiers may degrade performance by collapsing exploration. These results suggest that the field may be adding complexity to solve problems that disappear with a stable, scaled-up baseline. We release our models and code to establish a simple, validated baseline for the community.

Reinforcement Learning with Verifiable Rewards (RLVR) reliably improves the reasoning performance of large language models, yet it appears to modify only a small fraction of parameters. We revisit this paradox and show that sparsity is a surface artifact of a model-conditioned optimization bias: for a fixed pretrained model, updates consistently localize to preferred parameter regions, highly consistent across runs and largely invariant to datasets and RL recipes. We mechanistically explain these dynamics with a Three-Gate Theory: Gate I (KL Anchor) imposes a KL-constrained update; Gate II (Model Geometry) steers the step off principal directions into low-curvature, spectrum-preserving subspaces; and Gate III (Precision) hides micro-updates in non-preferred regions, making the off-principal bias appear as sparsity. We then validate this theory and, for the first time, provide a parameter-level characterization of RLVR's learning dynamics: RLVR learns off principal directions in weight space, achieving gains via minimal spectral drift, reduced principal-subspace rotation, and off-principal update alignment. In contrast, SFT targets principal weights, distorts the spectrum, and even lags RLVR. Together, these results provide the first parameter-space account of RLVR's training dynamics, revealing clear regularities in how parameters evolve. Crucially, we show that RL operates in a distinct optimization regime from SFT, so directly adapting SFT-era parameter-efficient fine-tuning (PEFT) methods can be flawed, as evidenced by our case studies on advanced sparse fine-tuning and LoRA variants. We hope this work charts a path toward a white-box understanding of RLVR and the design of geometry-aware, RLVR-native learning algorithms, rather than repurposed SFT-era heuristics.

Most currently deployed large language models (LLMs) undergo continuous training or additional finetuning. By contrast, most research into LLMs' internal mechanisms focuses on models at one snapshot in time (the end of pre-training), raising the question of whether their results generalize to real-world settings. Existing studies of mechanisms over time focus on encoder-only or toy models, which differ significantly from most deployed models. In this study, we track how model mechanisms, operationalized as circuits, emerge and evolve across 300 billion tokens of training in decoder-only LLMs, in models ranging from 70 million to 2.8 billion parameters. We find that task abilities and the functional components that support them emerge consistently at similar token counts across scale. Moreover, although such components may be implemented by different attention heads over time, the overarching algorithm that they implement remains. Surprisingly, both these algorithms and the types of components involved therein can replicate across model scale. These results suggest that circuit analyses conducted on small models at the end of pre-training can provide insights that still apply after additional pre-training and over model scale.

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

We consider the problem of locating a facility to serve a set of agents located along a line. The Nash welfare objective function, defined as the product of the agents' utilities, is known to provide a compromise between fairness and efficiency in resource allocation problems. We apply this welfare notion to the facility location problem, converting individual costs to utilities and analyzing the facility placement that maximizes the Nash welfare. We give a polynomial-time approximation algorithm to compute this facility location, and prove results suggesting that it achieves a good balance of fairness and efficiency. Finally, we take a mechanism design perspective and propose a strategy-proof mechanism with a bounded approximation ratio for Nash welfare.

Existing methods usually leverage a fixed strategy, such as natural language reasoning, code-augmented reasoning, tool-integrated reasoning, or ensemble-based reasoning, to guide Large Language Models (LLMs) to perform mathematical reasoning. Our analysis reveals that the single strategy cannot adapt to problem-specific requirements and thus overlooks the trade-off between effectiveness and efficiency. To address these issues, we propose Planning and Routing through Instance-Specific Modeling (PRISM), a novel framework that decouples mathematical reasoning into two stages: strategy planning and targeted execution. Specifically, we first curate a multi-strategy preference dataset, which we call MathStrat, capturing correctness, process quality, and computational efficiency for each problem--strategy pair. Then, we train a lightweight Strategy Adapter based on the dataset to obtain confidence distributions over the mentioned four reasoning strategies. At inference time, an adaptive routing policy dynamically tailors the reasoning approach based on predictor confidence. It directs the model to use single-strategy execution for high-confidence predictions, dual-strategy verification for competitive scenarios, or comprehensive multi-strategy exploration for uncertain cases. Extensive experiments across five mathematical reasoning benchmarks demonstrate that PRISM consistently outperforms individual strategies and ensemble baselines, achieving improvements ranging from 0.9% to 7.6% across different base models. The adaptive routing approach shows particularly strong benefits for mathematical reasoning tasks across diverse model architectures. Our code is released at https://github.com/reml-group/PRISM.

The Lottery Ticket Hypothesis demonstrated that sparse subnetworks can match full-model performance, suggesting parameter redundancy. Meanwhile, in Reinforcement Learning with Verifiable Rewards (RLVR), recent work has shown that updates concentrate on a sparse subset of parameters, which further lends evidence to this underlying redundancy. We study the simplest possible way to exploit this redundancy: training only a randomly selected subset of parameters at extreme sparsities. Empirically, we find that training just 1\% of parameters matches or exceeds full-parameter RLVR finetuning across 3 models and 2 task domains. Moreover, different random masks show minimal overlap (leq 0.005 Jaccard similarity) and yet all succeed, suggesting pretrained models contain many viable sparse subnetworks rather than one privileged set. We term this the Multiple Ticket Hypothesis. We explain this phenomenon through the implicit per-step KL constraint in RLVR, which restricts updates to a low-dimensional subspace, enabling arbitrary sparse masks to succeed.

Weight-perturbation evolution strategies (ES) can fine-tune billion-parameter language models with surprisingly small populations (e.g., N!approx!30), contradicting classical zeroth-order curse-of-dimensionality intuition. We also observe a second seemingly separate phenomenon: under fixed hyperparameters, the stochastic fine-tuning reward often rises, peaks, and then degrades in both ES and GRPO. We argue that both effects reflect a shared geometric property of fine-tuning landscapes: they are low-dimensional in curvature. A small set of high-curvature dimensions dominates improvement, producing (i) heterogeneous time scales that yield rise-then-decay under fixed stochasticity, as captured by a minimal quadratic stochastic-ascent model, and (ii) degenerate improving updates, where many random perturbations share similar components along these directions. Using ES as a geometric probe on fine-tuning reward landscapes of GSM8K, ARC-C, and WinoGrande across Qwen2.5-Instruct models (0.5B--7B), we show that reward-improving perturbations remain empirically accessible with small populations across scales. Together, these results reconcile ES scalability with non-monotonic training dynamics and suggest that high-dimensional fine-tuning may admit a broader class of viable optimization methods than worst-case theory implies.

Conventional models of matching markets assume that monetary transfers can clear markets by compensating for utility differentials. However, empirical patterns show that such transfers often fail to close structural preference gaps. This paper introduces a market microstructure framework that models matching decisions as a limit order book system with rigid bid ask spreads. Individual preferences are represented by a latent preference state matrix, where the spread between an agent's internal ask price (the unconditional maximum) and the market's best bid (the reachable maximum) creates a structural liquidity constraint. We establish a Threshold Impossibility Theorem showing that linear compensation cannot close these spreads unless it induces a categorical identity shift. A dynamic discrete choice execution model further demonstrates that matches occur only when the market to book ratio crosses a time decaying liquidity threshold, analogous to order execution under inventory pressure. Numerical experiments validate persistent slippage, regional invariance of preference orderings, and high tier zero spread executions. The model provides a unified microstructure explanation for matching failures, compensation inefficiency, and post match regret in illiquid order driven environments.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

Neural models are usually adapted through changes in parameters shared among model components via fine-tuning, alignment-based training, and reinforcement learning. These changes have been found effective in short-term optimization. However, they result in long-term alterations in the model's base behavior. In this study, we introduce the concept of structural irreversibility as a characteristic of shared-parameter model adaptation. This concept refers to the intertwining of task-specific objectives with the representational identity of the model. We show that when parameters are directly mutated, the resulting model behaves divergently from the original model. This divergence cannot be reversed deterministically without an explicit parameter snapshot. We introduce reversible behavioral learning, in which model behaviors are structurally dissociated from identity parameters and can be deterministically unloaded through an explicit unload process. We also introduce the Recoverability Factor as a normalized measure of behavioral recoverability and provide additional diagnostics based on model divergence. Experiments show that reversible model adaptation achieves rollback within numerical precision, whereas shared-parameter mutation exhibits persistent post-reset divergence.

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on efficiently balancing exploration and exploitation. While there has been substantial progress in BO methods, striking this balance remains a delicate process. In this light, we present LLAMBO, a novel approach that integrates the capabilities of Large Language Models (LLM) within BO. At a high level, we frame the BO problem in natural language, enabling LLMs to iteratively propose and evaluate promising solutions conditioned on historical evaluations. More specifically, we explore how combining contextual understanding, few-shot learning proficiency, and domain knowledge of LLMs can improve model-based BO. Our findings illustrate that LLAMBO is effective at zero-shot warmstarting, and enhances surrogate modeling and candidate sampling, especially in the early stages of search when observations are sparse. Our approach is performed in context and does not require LLM finetuning. Additionally, it is modular by design, allowing individual components to be integrated into existing BO frameworks, or function cohesively as an end-to-end method. We empirically validate LLAMBO's efficacy on the problem of hyperparameter tuning, highlighting strong empirical performance across a range of diverse benchmarks, proprietary, and synthetic tasks.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

Dynamic Algorithm Configuration (DAC) aims to dynamically control a target algorithm's hyperparameters in order to improve its performance. Several theoretical and empirical results have demonstrated the benefits of dynamically controlling hyperparameters in domains like evolutionary computation, AI Planning or deep learning. Replicating these results, as well as studying new methods for DAC, however, is difficult since existing benchmarks are often specialized and incompatible with the same interfaces. To facilitate benchmarking and thus research on DAC, we propose DACBench, a benchmark library that seeks to collect and standardize existing DAC benchmarks from different AI domains, as well as provide a template for new ones. For the design of DACBench, we focused on important desiderata, such as (i) flexibility, (ii) reproducibility, (iii) extensibility and (iv) automatic documentation and visualization. To show the potential, broad applicability and challenges of DAC, we explore how a set of six initial benchmarks compare in several dimensions of difficulty.

Humans are highly adaptable, swiftly switching between different modes to progressively handle different tasks, situations and contexts. In Human-object interaction (HOI) activities, these modes can be attributed to two mechanisms: (1) the large-scale consistent plan for the whole activity and (2) the small-scale children interactive actions that start and end along the timeline. While neuroscience and cognitive science have confirmed this multi-mechanism nature of human behavior, machine modeling approaches for human motion are trailing behind. While attempted to use gradually morphing structures (e.g., graph attention networks) to model the dynamic HOI patterns, they miss the expeditious and discrete mode-switching nature of the human motion. To bridge that gap, this work proposes to model two concurrent mechanisms that jointly control human motion: the Persistent process that runs continually on the global scale, and the Transient sub-processes that operate intermittently on the local context of the human while interacting with objects. These two mechanisms form an interactive Persistent-Transient Duality that synergistically governs the activity sequences. We model this conceptual duality by a parent-child neural network of Persistent and Transient channels with a dedicated neural module for dynamic mechanism switching. The framework is trialed on HOI motion forecasting. On two rich datasets and a wide variety of settings, the model consistently delivers superior performances, proving its suitability for the challenge.

Building credible simulators from data is difficult because structure design, parameter calibration, and out-of-distribution (OOD) robustness are tightly coupled. We introduce SOCIA (Simulation Orchestration for Computational Intelligence with Agents), a framework that treats simulator construction as joint structure-parameter co-optimization: it elicits mechanism-rich blueprints, exposes explicit tunable parameters, and instantiates a calibration schema, producing an executable simulator with built-in calibration hooks. SOCIA couples Bayesian Optimization for sample-efficient point calibration with Simulation-Based Inference for uncertainty-aware fitting; diagnostics trigger targeted structural edits in an outer refinement loop to co-optimize design and parameters under tight budgets. Across three diverse tasks, SOCIA consistently outperforms strong baselines, excelling on both in-distribution (ID) fitting and OOD shift. Ablations that weaken structure, calibration design, or tuning yield near-monotone degradations, underscoring the necessity of unified structure-parameter optimization. We will release the code soon.

We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io

Parameter-efficient tuning (PET) methods can effectively drive extremely large pre-trained language models (PLMs) by only training minimal parameters. Different PET methods utilize different manually designed modules. In a small PLM, there are usually noticeable performance differences among PET methods. Nevertheless, when a PLM's scale grows up to tens of billions of parameters, all PET methods achieve almost the same performance and even perform on par with the full-parameter fine-tuning method. Hence, we hypothesize that model scaling can mitigate the design differences (the module structures and the number of trainable parameters) among PET methods. To study this hypothesis, we introduce a more flexible PET method - arbitrary PET (APET) method - to be compatible with arbitrary module structures and any number of trainable parameters. Then, we experiment on 11 NLP tasks of 5 types and 2 representative PLMs. From our investigations, we find that the model scaling (1) mitigates the effects of the arbitrary module structure on the performance of tuning methods, and (2) enables the tuning methods to optimize fewer parameters to achieve the full-parameter fine-tuning performance. Intriguingly, we also observe that all tuning methods require almost the same number of trainable parameters to drive PLMs. We discuss this phenomenon and the above two findings collectively from optimization perspectives to fathom the mechanisms behind them. These conclusions not only demonstrate the positive impact of model scaling on tuning methods but disclose its mechanisms, which help us design more effective and efficient tuning methods on larger-scale PLMs.

Hyperparameter tuning of deep learning models can lead to order-of-magnitude performance gains for the same amount of compute. Despite this, systematic tuning is uncommon, particularly for large models, which are expensive to evaluate and tend to have many hyperparameters, necessitating difficult judgment calls about tradeoffs, budgets, and search bounds. To address these issues and propose a practical method for robustly tuning large models, we present Cost-Aware Pareto Region Bayesian Search (CARBS), a Bayesian optimization algorithm that performs local search around the performance-cost Pareto frontier. CARBS does well even in unbounded search spaces with many hyperparameters, learns scaling relationships so that it can tune models even as they are scaled up, and automates much of the "black magic" of tuning. Among our results, we effectively solve the entire ProcGen benchmark just by tuning a simple baseline (PPO, as provided in the original ProcGen paper). We also reproduce the model size vs. training tokens scaling result from the Chinchilla project (Hoffmann et al. 2022), while simultaneously discovering scaling laws for every other hyperparameter, via an easy automated process that uses significantly less compute and is applicable to any deep learning problem (not just language models).

A faithful and interpretable explanation of an AI model's behavior and internal structure is a high-level explanation that is human-intelligible but also consistent with the known, but often opaque low-level causal details of the model. We argue that the theory of causal abstraction provides the mathematical foundations for the desired kinds of model explanations. In causal abstraction analysis, we use interventions on model-internal states to rigorously assess whether an interpretable high-level causal model is a faithful description of an AI model. Our contributions in this area are: (1) We generalize causal abstraction to cyclic causal structures and typed high-level variables. (2) We show how multi-source interchange interventions can be used to conduct causal abstraction analyses. (3) We define a notion of approximate causal abstraction that allows us to assess the degree to which a high-level causal model is a causal abstraction of a lower-level one. (4) We prove constructive causal abstraction can be decomposed into three operations we refer to as marginalization, variable-merge, and value-merge. (5) We formalize the XAI methods of LIME, causal effect estimation, causal mediation analysis, iterated nullspace projection, and circuit-based explanations as special cases of causal abstraction analysis.

Task allocation is a key combinatorial optimization problem, crucial for modern applications such as multi-robot cooperation and resource scheduling. Decision makers must allocate entities to tasks reasonably across different scenarios. However, traditional methods assume static attributes and numbers of tasks and entities, often relying on dynamic programming and heuristic algorithms for solutions. In reality, task allocation resembles Markov decision processes, with dynamically changing task and entity attributes. Thus, algorithms must dynamically allocate tasks based on their states. To address this issue, we propose a two-stage task allocation algorithm based on similarity, utilizing reinforcement learning to learn allocation strategies. The proposed pre-assign strategy allows entities to preselect appropriate tasks, effectively avoiding local optima and thereby better finding the optimal allocation. We also introduce an attention mechanism and a hyperparameter network structure to adapt to the changing number and attributes of entities and tasks, enabling our network structure to generalize to new tasks. Experimental results across multiple environments demonstrate that our algorithm effectively addresses the challenges of dynamic task allocation in practical applications. Compared to heuristic algorithms like genetic algorithms, our reinforcement learning approach better solves dynamic allocation problems and achieves zero-shot generalization to new tasks with good performance. The code is available at https://github.com/yk7333/TaskAllocation.

Autonomous AI agents powered by large language models (LLMs) with structured function-calling interfaces have dramatically expanded capabilities for real-time data retrieval, complex computation, and multi-step orchestration. Yet, the explosive proliferation of plugins, connectors, and inter-agent protocols has outpaced discovery mechanisms and security practices, resulting in brittle integrations vulnerable to diverse threats. In this survey, we introduce the first unified, end-to-end threat model for LLM-agent ecosystems, spanning host-to-tool and agent-to-agent communications, formalize adversary capabilities and attacker objectives, and catalog over thirty attack techniques. Specifically, we organized the threat model into four domains: Input Manipulation (e.g., prompt injections, long-context hijacks, multimodal adversarial inputs), Model Compromise (e.g., prompt- and parameter-level backdoors, composite and encrypted multi-backdoors, poisoning strategies), System and Privacy Attacks (e.g., speculative side-channels, membership inference, retrieval poisoning, social-engineering simulations), and Protocol Vulnerabilities (e.g., exploits in Model Context Protocol (MCP), Agent Communication Protocol (ACP), Agent Network Protocol (ANP), and Agent-to-Agent (A2A) protocol). For each category, we review representative scenarios, assess real-world feasibility, and evaluate existing defenses. Building on our threat taxonomy, we identify key open challenges and future research directions, such as securing MCP deployments through dynamic trust management and cryptographic provenance tracking; designing and hardening Agentic Web Interfaces; and achieving resilience in multi-agent and federated environments. Our work provides a comprehensive reference to guide the design of robust defense mechanisms and establish best practices for resilient LLM-agent workflows.

The availability of performant pre-trained models has led to a proliferation of fine-tuned expert models that are specialized to particular domains. This has enabled the creation of powerful and adaptive routing-based "Model MoErging" methods with the goal of using expert modules to create an aggregate system with improved performance or generalization. However, existing MoErging methods often prioritize generalization to unseen tasks at the expense of performance on held-in tasks, which limits its practical applicability in real-world deployment scenarios. We observe that current token-level routing mechanisms neglect the global semantic context of the input task. This token-wise independence hinders effective expert selection for held-in tasks, as routing decisions fail to incorporate the semantic properties of the task. To address this, we propose, Global and Local Instruction Driven Expert Router (GLIDER) that integrates a multi-scale routing mechanism, encompassing a semantic global router and a learned local router. The global router leverages LLM's advanced reasoning capabilities for semantic-related contexts to enhance expert selection. Given the input query and LLM, the router generates semantic task instructions that guide the retrieval of the most relevant experts across all layers. This global guidance is complemented by a local router that facilitates token-level routing decisions within each module, enabling finer control and enhanced performance on unseen tasks. Our experiments using T5-based models for T0 and FLAN tasks demonstrate that GLIDER achieves substantially improved held-in performance while maintaining strong generalization on held-out tasks. We also perform ablations experiments to dive deeper into the components of GLIDER. Our experiments highlight the importance of our multi-scale routing that leverages LLM-driven semantic reasoning for MoErging methods.

We present a novel unified bilevel optimization-based framework, PARL, formulated to address the recently highlighted critical issue of policy alignment in reinforcement learning using utility or preference-based feedback. We identify a major gap within current algorithmic designs for solving policy alignment due to a lack of precise characterization of the dependence of the alignment objective on the data generated by policy trajectories. This shortfall contributes to the sub-optimal performance observed in contemporary algorithms. Our framework addressed these concerns by explicitly parameterizing the distribution of the upper alignment objective (reward design) by the lower optimal variable (optimal policy for the designed reward). Interestingly, from an optimization perspective, our formulation leads to a new class of stochastic bilevel problems where the stochasticity at the upper objective depends upon the lower-level variable. To demonstrate the efficacy of our formulation in resolving alignment issues in RL, we devised an algorithm named A-PARL to solve PARL problem, establishing sample complexity bounds of order O(1/T). Our empirical results substantiate that the proposed PARL can address the alignment concerns in RL by showing significant improvements (up to 63\% in terms of required samples) for policy alignment in large-scale environments of the Deepmind control suite and Meta world tasks.

Hierarchical reinforcement learning (RL) can accelerate long-horizon decision-making by temporally abstracting a policy into multiple levels. Promising results in sparse reward environments have been seen with skills, i.e. sequences of primitive actions. Typically, a skill latent space and policy are discovered from offline data, but the resulting low-level policy can be unreliable due to low-coverage demonstrations or distribution shifts. As a solution, we propose fine-tuning the low-level policy in conjunction with high-level skill selection. Our Skill-Critic algorithm optimizes both the low and high-level policies; these policies are also initialized and regularized by the latent space learned from offline demonstrations to guide the joint policy optimization. We validate our approach in multiple sparse RL environments, including a new sparse reward autonomous racing task in Gran Turismo Sport. The experiments show that Skill-Critic's low-level policy fine-tuning and demonstration-guided regularization are essential for optimal performance. Images and videos are available at https://sites.google.com/view/skill-critic. We plan to open source the code with the final version.

Recent advances in visual reasoning have leveraged vision transformers to tackle the ARC-AGI benchmark. However, we argue that the feed-forward architecture, where computational depth is strictly bound to parameter size, falls short of capturing the iterative, algorithmic nature of human induction. In this work, we propose a recursive architecture called Loop-ViT, which decouples reasoning depth from model capacity through weight-tied recurrence. Loop-ViT iterates a weight-tied Hybrid Block, combining local convolutions and global attention, to form a latent chain of thought. Crucially, we introduce a parameter-free Dynamic Exit mechanism based on predictive entropy: the model halts inference when its internal state ``crystallizes" into a low-uncertainty attractor. Empirical results on the ARC-AGI-1 benchmark validate this perspective: our 18M model achieves 65.8% accuracy, outperforming massive 73M-parameter ensembles. These findings demonstrate that adaptive iterative computation offers a far more efficient scaling axis for visual reasoning than simply increasing network width. The code is available at https://github.com/WenjieShu/LoopViT.

Reinforcement learning (RL) plays a crucial role in shaping the behavior of large language and reasoning models (LLMs/LRMs). However, it often produces brittle and unstable policies, leading to critical failures such as spurious reasoning, deceptive alignment, and instruction disobedience that undermine the trustworthiness and safety of LLMs/LRMs. Currently, these issues lack a unified theoretical explanation and are typically addressed using ad-hoc heuristics. This paper presents a rigorous mathematical framework for analyzing the stability of the mapping from a reward function to the optimal policy. We show that policy brittleness often stems from non-unique optimal actions, a common occurrence when multiple valid traces exist in a reasoning task. This theoretical lens provides a unified explanation for a range of seemingly disparate failures, reframing them as rational outcomes of optimizing rewards that may be incomplete or noisy, especially in the presence of action degeneracy. We extend this analysis from the fundamental single-reward setting to the more realistic multi-reward RL across diverse domains, showing how stability is governed by an "effective reward" aggregation mechanism. We also prove that entropy regularization restores policy stability at the cost of increased stochasticity. Our framework provides a unified explanation for recent empirical findings on deceptive reasoning, instruction-following trade-offs, and RLHF-induced sophistry, and is further validated through perturbation experiments in multi-reward RL. This work advances policy-stability analysis from empirical heuristics towards a principled theory, offering essential insights for designing safer and more trustworthy AI systems.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

The availability of a wide range of large language models (LLMs) embedded in various agentic systems has significantly increased the potential of model selection strategies to improve the cost-performance tradeoff. Existing strategies involve either routing, where a single model is chosen per query, or cascading, which sequentially runs increasingly larger models until a satisfactory answer is found. However, current approaches face three key limitations: they (1) lack formal proofs of optimality, (2) fail to identify the conditions under which these strategies are most effective to improve the cost-performance tradeoff, and (3) are unable to combine both paradigms for further improvements. To address these issues, we first derive a novel optimal strategy for cascading and prove the optimality of an existing routing strategy. Further, we propose cascade routing, a unified framework that integrates routing and cascading into a theoretically optimal strategy. Through our analysis, we identify good quality estimators as the critical factor for the success of model selection paradigms. Finally, in our experiments, we show that cascade routing consistently outperforms the individual approaches by a large margin and we analyze quality estimators to determine when routing and/or cascading are useful paradigms for model selection.

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

In the rapidly evolving landscape of artificial intelligence, multi-modal large language models are emerging as a significant area of interest. These models, which combine various forms of data input, are becoming increasingly popular. However, understanding their internal mechanisms remains a complex task. Numerous advancements have been made in the field of explainability tools and mechanisms, yet there is still much to explore. In this work, we present a novel interactive application aimed towards understanding the internal mechanisms of large vision-language models. Our interface is designed to enhance the interpretability of the image patches, which are instrumental in generating an answer, and assess the efficacy of the language model in grounding its output in the image. With our application, a user can systematically investigate the model and uncover system limitations, paving the way for enhancements in system capabilities. Finally, we present a case study of how our application can aid in understanding failure mechanisms in a popular large multi-modal model: LLaVA.

Mixture-of-Experts (MoE) architectures in Large Language Models (LLMs) have significantly reduced inference costs through sparse activation. However, this sparse activation paradigm also introduces new safety challenges. Since only a subset of experts is engaged for each input, model behavior becomes coupled to routing decisions, yielding a difficult-to-control mechanism that can vary across safety-relevant scenarios. At the same time, adapting model behavior through full fine-tuning or retraining is costly, especially when developers need to rapidly configure the same model for different safety objectives. We present MASCing (MoE Activation Steering Configuration), the first framework that enables flexible reconfiguration of MoE behavior across diverse safety scenarios without retraining. MASCing uses an LSTM-based surrogate model to capture cross-layer routing dependencies and map routing logits to downstream behaviors. It then optimizes a steering matrix to identify behavior-relevant expert circuits and, at inference time, applies steering masks to the routing gates to override expert selection. This enables targeted enhancement or suppression of specific behaviors while preserving general language utility. To demonstrate its reconfigurability, we apply MASCing to two different safety-related objectives and observe consistent gains with negligible overhead across seven open-source MoE models. For multi-turn jailbreak defense, it improves the average defense success rate from 52.5% to 83.9%, with gains of up to 89.2%. For adult-content generation, MASCing enables models to comply with such requests that would otherwise be refused, increasing the average generation success rate from 52.6% to 82.0%, with gains of up to 93.0%. These results establish MASCing as a practical, lightweight, and flexible framework for scenario-specific safety reconfiguration in MoE models.