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Jul 10

Flow of Reasoning: Efficient Training of LLM Policy with Divergent Thinking

Divergent thinking, the cognitive process of generating diverse solutions, is a hallmark of human creativity and problem-solving. For machines, sampling diverse solution trajectories in complex reasoning problems is crucial for robust outcomes, data augmentation, and enhanced model generalization. Large language models (LLMs) often struggle with generating high-quality, diverse reasoning. While supervised fine-tuning helps with quality, it requires extensive supervision data to capture the full diversity of solutions. Alternatively, reinforcement learning methods like PPO aim to find limited highest-reward solutions while neglecting the solution diversity, akin to convergent thinking. To address these limitations, we propose Flow of Reasoning (FoR) -- an efficient LLM training approach enabling diverse reasoning with minimal data. FoR formulates multi-step LLM reasoning as a Markovian flow from an initial state to terminal states. The formulation allows to adapt principled GFlowNet approaches to train the LLM as a policy, which is able to sample multiple reasoning paths with probabilities proportional to the unnormalized reward. Empirical results show that, with limited training data (e.g., 15 examples), FoR can discover diverse high-quality solutions that excel greatly beyond current state-of-the-art methods across three tasks, including embodied reasoning (BlocksWorld), math puzzle solving (Game24), and logical reasoning (PrOntoQA). Code is available at https://github.com/Yu-Fangxu/FoR.

  • 5 authors
·
Jun 9, 2024

WebLeaper: Empowering Efficiency and Efficacy in WebAgent via Enabling Info-Rich Seeking

Large Language Model (LLM)-based agents have emerged as a transformative approach for open-ended problem solving, with information seeking (IS) being a core capability that enables autonomous reasoning and decision-making. While prior research has largely focused on improving retrieval depth, we observe that current IS agents often suffer from low search efficiency, which in turn constrains overall performance. A key factor underlying this inefficiency is the sparsity of target entities in training tasks, which limits opportunities for agents to learn and generalize efficient search behaviors. To address these challenges, we propose WebLeaper, a framework for constructing high-coverage IS tasks and generating efficient solution trajectories. We formulate IS as a tree-structured reasoning problem, enabling a substantially larger set of target entities to be embedded within a constrained context. Leveraging curated Wikipedia tables, we propose three variants for synthesizing IS tasks, Basic, Union, and Reverse-Union, to systematically increase both IS efficiency and efficacy. Finally, we curate training trajectories by retaining only those that are simultaneously accurate and efficient, ensuring that the model is optimized for both correctness and search performance. Extensive experiments on both basic and comprehensive settings, conducted on five IS benchmarks, BrowserComp, GAIA, xbench-DeepSearch, WideSearch, and Seal-0, demonstrate that our method consistently achieves improvements in both effectiveness and efficiency over strong baselines.

AlibabaTongyiLab TongyiLab
·
Oct 28, 2025 2

From Implicit to Explicit: Token-Efficient Logical Supervision for Mathematical Reasoning in LLMs

Recent studies reveal that large language models (LLMs) exhibit limited logical reasoning abilities in mathematical problem-solving, instead often relying on pattern-matching and memorization. We systematically analyze this limitation, focusing on logical relationship understanding, which is a core capability underlying genuine logical reasoning, and reveal that errors related to this capability account for over 90\% of incorrect predictions, with Chain-of-Thought Supervised Fine-Tuning (CoT-SFT) failing to substantially reduce these errors. To address this bottleneck, we propose First-Step Logical Reasoning (FSLR), a lightweight training framework targeting logical relationship understanding. Our key insight is that the first planning step-identifying which variables to use and which operation to apply-encourages the model to derive logical relationships directly from the problem statement. By training models on this isolated step, FSLR provides explicit supervision for logical relationship understanding, unlike CoT-SFT which implicitly embeds such relationships within complete solution trajectories. Extensive experiments across multiple models and datasets demonstrate that FSLR consistently outperforms CoT-SFT under both in-distribution and out-of-distribution settings, with average improvements of 3.2\% and 4.6\%, respectively. Moreover, FSLR achieves 4-6x faster training and reduces training token consumption by over 80\%.

  • 2 authors
·
Jan 7

Consistency Trajectory Models: Learning Probability Flow ODE Trajectory of Diffusion

Consistency Models (CM) (Song et al., 2023) accelerate score-based diffusion model sampling at the cost of sample quality but lack a natural way to trade-off quality for speed. To address this limitation, we propose Consistency Trajectory Model (CTM), a generalization encompassing CM and score-based models as special cases. CTM trains a single neural network that can -- in a single forward pass -- output scores (i.e., gradients of log-density) and enables unrestricted traversal between any initial and final time along the Probability Flow Ordinary Differential Equation (ODE) in a diffusion process. CTM enables the efficient combination of adversarial training and denoising score matching loss to enhance performance and achieves new state-of-the-art FIDs for single-step diffusion model sampling on CIFAR-10 (FID 1.73) and ImageNet at 64x64 resolution (FID 1.92). CTM also enables a new family of sampling schemes, both deterministic and stochastic, involving long jumps along the ODE solution trajectories. It consistently improves sample quality as computational budgets increase, avoiding the degradation seen in CM. Furthermore, unlike CM, CTM's access to the score function can streamline the adoption of established controllable/conditional generation methods from the diffusion community. This access also enables the computation of likelihood. The code is available at https://github.com/sony/ctm.

  • 9 authors
·
Oct 1, 2023

Set You Straight: Auto-Steering Denoising Trajectories to Sidestep Unwanted Concepts

Ensuring the ethical deployment of text-to-image models requires effective techniques to prevent the generation of harmful or inappropriate content. While concept erasure methods offer a promising solution, existing finetuning-based approaches suffer from notable limitations. Anchor-free methods risk disrupting sampling trajectories, leading to visual artifacts, while anchor-based methods rely on the heuristic selection of anchor concepts. To overcome these shortcomings, we introduce a finetuning framework, dubbed ANT, which Automatically guides deNoising Trajectories to avoid unwanted concepts. ANT is built on a key insight: reversing the condition direction of classifier-free guidance during mid-to-late denoising stages enables precise content modification without sacrificing early-stage structural integrity. This inspires a trajectory-aware objective that preserves the integrity of the early-stage score function field, which steers samples toward the natural image manifold, without relying on heuristic anchor concept selection. For single-concept erasure, we propose an augmentation-enhanced weight saliency map to precisely identify the critical parameters that most significantly contribute to the unwanted concept, enabling more thorough and efficient erasure. For multi-concept erasure, our objective function offers a versatile plug-and-play solution that significantly boosts performance. Extensive experiments demonstrate that ANT achieves state-of-the-art results in both single and multi-concept erasure, delivering high-quality, safe outputs without compromising the generative fidelity. Code is available at https://github.com/lileyang1210/ANT

  • 4 authors
·
Apr 17, 2025 2

CLEANER: Self-Purified Trajectories Boost Agentic Reinforcement Learning

Agentic Reinforcement Learning (RL) has empowered Large Language Models (LLMs) to utilize tools like Python interpreters for complex problem-solving. However, for parameter-constrained models (e.g., 4B--7B), the exploration phase is often plagued by frequent execution failures, creating noisy trajectories that hinder policy optimization. Under standard outcome-based reward settings, this noise leads to a critical credit assignment issue, where erroneous actions are inadvertently reinforced alongside successful outcomes. Existing mitigations face a dilemma: dense rewards often trigger reward hacking, while supersampling incurs prohibitive computational costs. To address these challenges, we propose CLEANER. Distinct from external filtering methods, CLEANER exploits the model's intrinsic self-correction capabilities to eliminate error-contaminated context directly during data collection. At its core, the Similarity-Aware Adaptive Rollback (SAAR) mechanism autonomously constructs clean, purified trajectories by retrospectively replacing failures with successful self-corrections. Based on semantic similarity, SAAR adaptively regulates replacement granularity from shallow execution repairs to deep reasoning substitutions. By training on these self-purified paths, the model internalizes correct reasoning patterns rather than error-recovery loops. Empirical results on AIME24/25, GPQA, and LiveCodeBench show average accuracy gains of 6%, 3%, and 5% over baselines. Notably, CLEANER matches state-of-the-art performance using only one-third of the training steps, highlighting trajectory purification as a scalable solution for efficient agentic RL. Our models and code are available at GitHub

  • 3 authors
·
Jan 21

LiteGUI: Distilling Compact GUI Agents with Reinforcement Learning

Developing lightweight, on-device vision-language GUI agents is essential for efficient cross-platform automated interaction. However, current on-device agents are constrained by limited model capacity, and further performance improvements remain urgently needed. Traditional Supervised Fine-Tuning (SFT) for small-scale models often leads to overfitting, catastrophic forgetting and policy rigidity, and thus fails to fully address these challenges. In this work, we propose a novel SFT-free training paradigm that significantly enhances the performance of small-scale models. We first present the initial systematic integration of generalized knowledge distillation into the GUI agent domain via Guided On-policy Distillation. By incorporating oracle reference trajectories together with a dynamic retrieval mechanism, our method reduces hallucinations and mitigates the cognitive misalignment inherent in multi-solution GUI tasks. Building on this foundation, we further introduce a Multi-solution Dual-level GRPO framework that jointly aligns macro-level subtask planning with micro-level execution matching, thereby improving exploration in long-horizon GUI agent scenarios. In addition, we construct an automated data generation pipeline to synthesize GUI task trajectories with rich multi-solution annotations. Extensive experiments show that our method achieves state-of-the-art performance among lightweight models while remaining competitive with substantially larger-scale models across all benchmarks. Ablation studies further demonstrate that structured on-policy distillation and multi-solution dual-level exploration can fully unlock the capabilities of 2B/3B scale agents, surpassing the performance limits of conventional imitation learning.

  • 7 authors
·
May 7

Learning to Share: Selective Memory for Efficient Parallel Agentic Systems

Agentic systems solve complex tasks by coordinating multiple agents that iteratively reason, invoke tools, and exchange intermediate results. To improve robustness and solution quality, recent approaches deploy multiple agent teams running in parallel to explore diverse reasoning trajectories. However, parallel execution comes at a significant computational cost: when different teams independently reason about similar sub-problems or execute analogous steps, they repeatedly perform substantial overlapping computation. To address these limitations, in this paper, we propose Learning to Share (LTS), a learned shared-memory mechanism for parallel agentic frameworks that enables selective cross-team information reuse while controlling context growth. LTS introduces a global memory bank accessible to all teams and a lightweight controller that decides whether intermediate agent steps should be added to memory or not. The controller is trained using stepwise reinforcement learning with usage-aware credit assignment, allowing it to identify information that is globally useful across parallel executions. Experiments on the AssistantBench and GAIA benchmarks show that LTS significantly reduces overall runtime while matching or improving task performance compared to memory-free parallel baselines, demonstrating that learned memory admission is an effective strategy for improving the efficiency of parallel agentic systems. Project page: https://joefioresi718.github.io/LTS_webpage/

  • 5 authors
·
Feb 5

Parallel Diffusion Solver via Residual Dirichlet Policy Optimization

Diffusion models (DMs) have achieved state-of-the-art generative performance but suffer from high sampling latency due to their sequential denoising nature. Existing solver-based acceleration methods often face significant image quality degradation under a low-latency budget, primarily due to accumulated truncation errors arising from the inability to capture high-curvature trajectory segments. In this paper, we propose the Ensemble Parallel Direction solver (dubbed as EPD-Solver), a novel ODE solver that mitigates these errors by incorporating multiple parallel gradient evaluations in each step. Motivated by the geometric insight that sampling trajectories are largely confined to a low-dimensional manifold, EPD-Solver leverages the Mean Value Theorem for vector-valued functions to approximate the integral solution more accurately. Importantly, since the additional gradient computations are independent, they can be fully parallelized, preserving low-latency sampling nature. We introduce a two-stage optimization framework. Initially, EPD-Solver optimizes a small set of learnable parameters via a distillation-based approach. We further propose a parameter-efficient Reinforcement Learning (RL) fine-tuning scheme that reformulates the solver as a stochastic Dirichlet policy. Unlike traditional methods that fine-tune the massive backbone, our RL approach operates strictly within the low-dimensional solver space, effectively mitigating reward hacking while enhancing performance in complex text-to-image (T2I) generation tasks. In addition, our method is flexible and can serve as a plugin (EPD-Plugin) to improve existing ODE samplers.

  • 8 authors
·
Mar 4

SARM: Stage-Aware Reward Modeling for Long Horizon Robot Manipulation

Large-scale robot learning has recently shown promise for enabling robots to perform complex tasks by integrating perception, control, and language understanding. Yet, it struggles with long-horizon, contact-rich manipulation such as deformable object handling, where demonstration quality is inconsistent. Reward modeling offers a natural solution: by providing grounded progress signals, it transforms noisy demonstrations into stable supervision that generalizes across diverse trajectories. We introduce a stage-aware, video-based reward modeling framework that jointly predicts high-level task stages and fine-grained progress. Reward labels are automatically derived from natural language subtask annotations, ensuring consistent progress estimation across variable-length demonstrations. This design overcomes frame-index labeling, which fails in variable-duration tasks like folding a T-shirt. Our reward model demonstrates robustness to variability, generalization to out-of-distribution settings, and strong utility for policy training. Building on it, we propose Reward-Aligned Behavior Cloning (RA-BC), which filters high-quality data and reweights samples by reward. Experiments show the reward model alone outperforms baselines on validation and real robot rollouts. Integrated into RA-BC, our approach achieves 83% success on folding T-shirts from the flattened state and 67% from the crumpled state -- far surpassing vanilla behavior cloning, which attains only 8% and 0% success. Overall, our results highlight reward modeling as a key enabler for scalable, annotation-efficient, and robust imitation learning in long-horizon manipulation.

  • 6 authors
·
Sep 29, 2025

DSDR: Dual-Scale Diversity Regularization for Exploration in LLM Reasoning

Reinforcement learning with verifiers (RLVR) is a central paradigm for improving large language model (LLM) reasoning, yet existing methods often suffer from limited exploration. Policies tend to collapse onto a few reasoning patterns and prematurely stop deep exploration, while conventional entropy regularization introduces only local stochasticity and fails to induce meaningful path-level diversity, leading to weak and unstable learning signals in group-based policy optimization. We propose DSDR, a Dual-Scale Diversity Regularization reinforcement learning framework that decomposes diversity in LLM reasoning into global and coupling components. Globally, DSDR promotes diversity among correct reasoning trajectories to explore distinct solution modes. Locally, it applies a length-invariant, token-level entropy regularization restricted to correct trajectories, preventing entropy collapse within each mode while preserving correctness. The two scales are coupled through a global-to-local allocation mechanism that emphasizes local regularization for more distinctive correct trajectories. We provide theoretical support showing that DSDR preserves optimal correctness under bounded regularization, sustains informative learning signals in group-based optimization, and yields a principled global-to-local coupling rule. Experiments on multiple reasoning benchmarks demonstrate consistent improvements in accuracy and pass@k, highlighting the importance of dual-scale diversity for deep exploration in RLVR. Code is available at https://github.com/SUSTechBruce/DSDR.

  • 12 authors
·
Feb 23 2

Nonlinear dynamics of a chemically-active drop: from steady to chaotic self-propulsion

Individual chemically active drops suspended in a surfactant solution were observed to self-propel spontaneously with straight, helical, or chaotic trajectories. To elucidate how these drops can exhibit such strikingly different dynamics and `decide' what to do, we propose a minimal axisymmetric model of a spherical active drop, and show that simple and linear interface properties can lead to both steady self-propulsion of the droplet as well as chaotic behavior. The model includes two different mobility mechanisms, namely, diffusiophoresis and the Marangoni effect, that convert self-generated gradients of surfactant concentration into the flow at the droplet surface. In turn, surface-driven flow initiates surfactant advection that is the only nonlinear mechanism and, thus, the only source of dynamical complexity in our model. Numerical investigation of the fully-coupled hydrodynamic and advection diffusion problems reveals that strong advection (e.g., large droplet size) may destabilize a steadily self-propelling drop; once destabilized, the droplet spontaneously stops and a symmetric extensile flow emerges. If advection is strengthened even further in comparison with molecular diffusion, the droplet may perform chaotic oscillations. Our results indicate that the thresholds of these instabilities depend heavily on the balance between diffusiophoresis and the Marangoni effect. Using linear stability analysis, we demonstrate that diffusiophoresis promotes the onset of high-order modes of monotonic instability of the motionless drop. We argue that diffusiophoresis has a similar effect on the instabilities of a moving drop.

  • 2 authors
·
Jan 8, 2019

TREK: Distill to Explore, Reinforce to Refine

Group Relative Policy Optimization (GRPO) is effective when the current policy already samples useful reasoning trajectories, but it stalls on hard prompts whose correct solution modes lie outside the student's on-policy support. We propose TREK (Teacher-Routed Exploration via Forward KL), a simple staged procedure that uses distillation not for imitation but for exploration support expansion. A key advantage of TREK is its generality: because it only consumes verified output trajectories, it can use an external black-box teacher, a white-box teacher, or the same model given additional inference-time context, and it can efficiently identify which hard-prompt samples are most worth consolidating even when teacher internals are unavailable. TREK first identifies prompts where the unaided student has very low pass rate, queries a proposal source to produce verified candidate solutions, keeps the top-r proposals ranked by current student likelihood, applies a short forward-KL phase to pull those verified modes into the student's support, and then returns to standard on-policy GRPO refinement. On mathematical reasoning, TREK with DeepSeek-V4 proposals improves Qwen3 models across all tested scales on AIME 2024 and AIME 2025; for Qwen3-8B, it improves AIME 2025 from 36.9 to 40.3 and AIME 2024 from 47.9 to 51.1 (avg@16), while the self-context variant reaches 38.5 and 49.6 without an external teacher. On agentic tasks, TREK raises ALFWorld success rate from 75.8 to 82.8 and ScienceWorld success rate from 12.5 to 26.7; notably, on the hardest task types, TREK achieves high success rates early in training while unaided GRPO requires substantially more optimization steps to reach comparable levels.

  • 13 authors
·
Jul 5 2

On Randomness in Agentic Evals

Agentic systems are evaluated on benchmarks where agents interact with environments to solve tasks. Most papers report a pass@1 score computed from a single run per task, assuming this gives a reliable performance estimate. We test this assumption by collecting 60,000 agentic trajectories on SWE-Bench-Verified, spanning three models and two scaffolds. We find substantial variance: single-run pass@1 estimates vary by 2.2 to 6.0 percentage points depending on which run is selected, with standard deviations exceeding 1.5 percentage points even at temperature 0. This variance has critical implications: reported improvements of 2--3 percentage points may reflect evaluation noise rather than genuine algorithmic progress. Through token-level analysis, we show that trajectories diverge early, often within the first few percent of tokens, and that these small differences cascade into different solution strategies. To enable reliable evaluation of agentic systems, we recommend three concrete practices: (1) estimate pass@1 from multiple independent runs per task, especially when measuring small improvements, (2) use statistical power analysis to determine the number of runs needed to detect expected effect sizes, and (3) consider metrics like pass@k (optimistic bound) and pass^k (pessimistic bound) with k>1 to better characterize the full performance envelope. While these practices increase evaluation cost, they are essential for distinguishing genuine scientific progress from statistical noise.

You Only Teach Once: Learn One-Shot Bimanual Robotic Manipulation from Video Demonstrations

Bimanual robotic manipulation is a long-standing challenge of embodied intelligence due to its characteristics of dual-arm spatial-temporal coordination and high-dimensional action spaces. Previous studies rely on pre-defined action taxonomies or direct teleoperation to alleviate or circumvent these issues, often making them lack simplicity, versatility and scalability. Differently, we believe that the most effective and efficient way for teaching bimanual manipulation is learning from human demonstrated videos, where rich features such as spatial-temporal positions, dynamic postures, interaction states and dexterous transitions are available almost for free. In this work, we propose the YOTO (You Only Teach Once), which can extract and then inject patterns of bimanual actions from as few as a single binocular observation of hand movements, and teach dual robot arms various complex tasks. Furthermore, based on keyframes-based motion trajectories, we devise a subtle solution for rapidly generating training demonstrations with diverse variations of manipulated objects and their locations. These data can then be used to learn a customized bimanual diffusion policy (BiDP) across diverse scenes. In experiments, YOTO achieves impressive performance in mimicking 5 intricate long-horizon bimanual tasks, possesses strong generalization under different visual and spatial conditions, and outperforms existing visuomotor imitation learning methods in accuracy and efficiency. Our project link is https://hnuzhy.github.io/projects/YOTO.

  • 6 authors
·
Jan 23, 2025

SWE-Explore: Benchmarking How Coding Agents Explore Repositories

Repository-level coding benchmarks such as SWE-bench have driven a rapid surge in the capabilities of coding agents. Yet they usually treat coding tasks as a holistic, binary prediction problem (e.g., resolved or unresolved), neglecting fine-grained agent capabilities such as repository understanding, context retrieval, code localization, and bug diagnosis. In this paper, we introduce SWE-Explore, a benchmark that isolates the evaluation of repository exploration, a critical capability of coding agents. Given a repository and an issue, SWE-Explore asks an explorer to return a ranked list of relevant code regions under a fixed line budget. SWE-Explore covers 848 issues across 10 programming languages and 203 open-source repositories. For each instance, we derive line-level ground truth from independent agent trajectories that successfully solved the same issue, distilling the specific code regions their solution paths actually consulted. We evaluate exploration along coverage, ranking, and context-efficiency dimensions, showing that these metrics strongly track downstream repair behavior. Across a broad set of retrieval methods, general coding agents, and specialized localizers, we find that agentic explorers form a clear tier above classical retrieval. While file-level localization is already strong for modern methods, line-level coverage and efficient ranking remain the key axes differentiating state-of-the-art explorers.

SWE-World: Building Software Engineering Agents in Docker-Free Environments

Recent advances in large language models (LLMs) have enabled software engineering agents to tackle complex code modification tasks. Most existing approaches rely on execution feedback from containerized environments, which require dependency-complete setup and physical execution of programs and tests. While effective, this paradigm is resource-intensive and difficult to maintain, substantially complicating agent training and limiting scalability. We propose SWE-World, a Docker-free framework that replaces physical execution environments with a learned surrogate for training and evaluating software engineering agents. SWE-World leverages LLM-based models trained on real agent-environment interaction data to predict intermediate execution outcomes and final test feedback, enabling agents to learn without interacting with physical containerized environments. This design preserves the standard agent-environment interaction loop while eliminating the need for costly environment construction and maintenance during agent optimization and evaluation. Furthermore, because SWE-World can simulate the final evaluation outcomes of candidate trajectories without real submission, it enables selecting the best solution among multiple test-time attempts, thereby facilitating effective test-time scaling (TTS) in software engineering tasks. Experiments on SWE-bench Verified demonstrate that SWE-World raises Qwen2.5-Coder-32B from 6.2\% to 52.0\% via Docker-free SFT, 55.0\% with Docker-free RL, and 68.2\% with further TTS. The code is available at https://github.com/RUCAIBox/SWE-World

RUC-AIBOX RUC-AIBOX
·
Feb 3 3

Learn Hard Problems During RL with Reference Guided Fine-tuning

Reinforcement learning (RL) for mathematical reasoning can suffer from reward sparsity: for challenging problems, LLM fails to sample any correct trajectories, preventing RL from receiving meaningful positive feedback. At the same time, there often exist human-written reference solutions along with the problem (e.g., problems from AoPS), but directly fine-tuning on these solutions offers no benefit because models often cannot imitate human proofs that lie outside their own reasoning distribution. We introduce Reference-Guided Fine-Tuning (ReGFT), a simple and effective method that utilizes human-written reference solutions to synthesize positive trajectories on hard problems and train on them before RL. For each problem, we provide the model with a partial reference solution and let it generate its own reasoning trace, ensuring the resulting trajectories remain in the model's reasoning space while still benefiting from reference guidance. Fine-tuning on these reference-guided trajectories increases the number of solvable problems and produces a checkpoint that receives more positive rewards during RL. Across three benchmarks (AIME24, AIME25, BeyondAIME), ReGFT consistently improves supervised accuracy, accelerates DAPO training, and raises the final performance plateau of RL. Our results show that ReGFT effectively overcomes reward sparsity and unlocks stronger RL-based mathematical reasoning.

SSL: Sweet Spot Learning for Differentiated Guidance in Agentic Optimization

Reinforcement learning with verifiable rewards has emerged as a powerful paradigm for training intelligent agents. However, existing methods typically employ binary rewards that fail to capture quality differences among trajectories achieving identical outcomes, thereby overlooking potential diversity within the solution space. Inspired by the ``sweet spot'' concept in tennis-the racket's core region that produces optimal hitting effects, we introduce Sweet Spot Learning (SSL), a novel framework that provides differentiated guidance for agent optimization. SSL follows a simple yet effective principle: progressively amplified, tiered rewards guide policies toward the sweet-spot region of the solution space. This principle naturally adapts across diverse tasks: visual perception tasks leverage distance-tiered modeling to reward proximity, while complex reasoning tasks reward incremental progress toward promising solutions. We theoretically demonstrate that SSL preserves optimal solution ordering and enhances the gradient signal-to-noise ratio, thereby fostering more directed optimization. Extensive experiments across GUI perception, short/long-term planning, and complex reasoning tasks show consistent improvements over strong baselines on 12 benchmarks, achieving up to 2.5X sample efficiency gains and effective cross-task transferability. Our work establishes SSL as a general principle for training capable and robust agents.

  • 12 authors
·
Jan 29 2

SE-Agent: Self-Evolution Trajectory Optimization in Multi-Step Reasoning with LLM-Based Agents

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process, i.e., agents' interaction trajectory leading to task completion, remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively. Our approach revisits and enhances former pilot trajectories through three key operations: revision, recombination, and refinement. This evolutionary mechanism enables two critical advantages: (1) it expands the search space beyond local optima by intelligently exploring diverse solution paths guided by previous trajectories, and (2) it leverages cross-trajectory inspiration to efficiently enhance performance while mitigating the impact of suboptimal reasoning paths. Through these mechanisms, SE-Agent achieves continuous self-evolution that incrementally improves reasoning quality. We evaluate SE-Agent on SWE-bench Verified to resolve real-world GitHub issues. Experimental results across five strong LLMs show that integrating SE-Agent delivers up to 55% relative improvement, achieving state-of-the-art performance among all open-source agents on SWE-bench Verified. Our code and demonstration materials are publicly available at https://github.com/JARVIS-Xs/SE-Agent.

QuantaAlpha QuantaAlpha
·
Aug 4, 2025

Motion Planning around Obstacles with Convex Optimization

Trajectory optimization offers mature tools for motion planning in high-dimensional spaces under dynamic constraints. However, when facing complex configuration spaces, cluttered with obstacles, roboticists typically fall back to sampling-based planners that struggle in very high dimensions and with continuous differential constraints. Indeed, obstacles are the source of many textbook examples of problematic nonconvexities in the trajectory-optimization problem. Here we show that convex optimization can, in fact, be used to reliably plan trajectories around obstacles. Specifically, we consider planning problems with collision-avoidance constraints, as well as cost penalties and hard constraints on the shape, the duration, and the velocity of the trajectory. Combining the properties of Bézier curves with a recently-proposed framework for finding shortest paths in Graphs of Convex Sets (GCS), we formulate the planning problem as a compact mixed-integer optimization. In stark contrast with existing mixed-integer planners, the convex relaxation of our programs is very tight, and a cheap rounding of its solution is typically sufficient to design globally-optimal trajectories. This reduces the mixed-integer program back to a simple convex optimization, and automatically provides optimality bounds for the planned trajectories. We name the proposed planner GCS, after its underlying optimization framework. We demonstrate GCS in simulation on a variety of robotic platforms, including a quadrotor flying through buildings and a dual-arm manipulator (with fourteen degrees of freedom) moving in a confined space. Using numerical experiments on a seven-degree-of-freedom manipulator, we show that GCS can outperform widely-used sampling-based planners by finding higher-quality trajectories in less time.

  • 4 authors
·
May 9, 2022

A Third-Order Gaussian Process Trajectory Representation Framework with Closed-Form Kinematics for Continuous-Time Motion Estimation

In this paper, we propose a third-order, i.e., white-noise-on-jerk, Gaussian Process (GP) Trajectory Representation (TR) framework for continuous-time (CT) motion estimation (ME) tasks. Our framework features a unified trajectory representation that encapsulates the kinematic models of both SO(3)timesR^3 and SE(3) pose representations. This encapsulation strategy allows users to use the same implementation of measurement-based factors for either choice of pose representation, which facilitates experimentation and comparison to achieve the best model for the ME task. In addition, unique to our framework, we derive the kinematic models with the closed-form temporal derivatives of the local variable of SO(3) and SE(3), which so far has only been approximated based on the Taylor expansion in the literature. Our experiments show that these kinematic models can improve the estimation accuracy in high-speed scenarios. All analytical Jacobians of the interpolated states with respect to the support states of the trajectory representation, as well as the motion prior factors, are also provided for accelerated Gauss-Newton (GN) optimization. Our experiments demonstrate the efficacy and efficiency of the framework in various motion estimation tasks such as localization, calibration, and odometry, facilitating fast prototyping for ME researchers. We release the source code for the benefit of the community. Our project is available at https://github.com/brytsknguyen/gptr.

  • 8 authors
·
Oct 30, 2024

'Explaining RL Decisions with Trajectories': A Reproducibility Study

This work investigates the reproducibility of the paper 'Explaining RL decisions with trajectories'. The original paper introduces a novel approach in explainable reinforcement learning based on the attribution decisions of an agent to specific clusters of trajectories encountered during training. We verify the main claims from the paper, which state that (i) training on less trajectories induces a lower initial state value, (ii) trajectories in a cluster present similar high-level patterns, (iii) distant trajectories influence the decision of an agent, and (iv) humans correctly identify the attributed trajectories to the decision of the agent. We recover the environments used by the authors based on the partial original code they provided for one of the environments (Grid-World), and implemented the remaining from scratch (Seaquest, HalfCheetah, Breakout and Q*Bert). While we confirm that (i), (ii), and (iii) partially hold, we extend on the largely qualitative experiments from the authors by introducing a quantitative metric to further support (iii), and new experiments and visual results for (i). Moreover, we investigate the use of different clustering algorithms and encoder architectures to further support (ii). We could not support (iv), given the limited extent of the original experiments. We conclude that, while some of the claims can be supported, further investigations and experiments could be of interest. We recognise the novelty of the work from the authors and hope that our work paves the way for clearer and more transparent approaches.

  • 4 authors
·
Nov 11, 2024

TrajPrism: A Multi-Task Benchmark for Language-Grounded Urban Trajectory Understanding

Urban mobility is naturally expressed both as trajectories in space and as natural-language descriptions of travel intent, constraints, and preferences. However, prior work rarely evaluates these two modalities together on the same real-world trajectories: trajectory modeling often stays geometry-centric, while language-centric mobility benchmarks frequently target route planning and tool use rather than fine-grained, verifiable alignment between text and the underlying route. We introduce TrajPrism, a multi-task benchmark for language-trajectory alignment that unifies (i) instruction-conditioned trajectory generation, (ii) language-driven semantic trajectory retrieval, and (iii) trajectory captioning, together with an evaluation protocol that measures trajectory fidelity, retrieval quality, and language groundedness. We construct TrajPrism by pairing real urban trajectories with judge-filtered language annotations generated under a four-dimensional travel-intent taxonomy. The benchmark contains 300K selected trajectories across Porto, San Francisco, and Beijing, yielding 2.1M task instances from three instruction variants, three retrieval queries, and one caption per trajectory. We further develop proof-of-concept models for each task: TrajAnchor for instruction-conditioned trajectory generation, TrajFuse for semantic trajectory retrieval, and TrajRap for trajectory captioning. These models instantiate the proposed tasks and show that geometry-only trajectory baselines leave a large gap on our protocol, especially where language is part of the input-output interface. We release TrajPrism with code and a reproducible annotation pipeline that is designed to be portable across cities, given compatible trajectory inputs and map resources.

  • 9 authors
·
May 10

Which Reasoning Trajectories Teach Students to Reason Better? A Simple Metric of Informative Alignment

Long chain-of-thought (CoT) trajectories provide rich supervision signals for distilling reasoning from teacher to student LLMs. However, both prior work and our experiments show that trajectories from stronger teachers do not necessarily yield better students, highlighting the importance of data-student suitability in distillation. Existing methods assess suitability primarily through student likelihood, favoring trajectories that closely align with the model's current behavior but overlooking more informative ones. Addressing this, we propose Rank-Surprisal Ratio (RSR), a simple metric that captures both alignment and informativeness to assess the suitability of a reasoning trajectory. RSR is motivated by the observation that effective trajectories typically combine low absolute probability with relatively high-ranked tokens under the student model, balancing learning signal strength and behavioral alignment. Concretely, RSR is defined as the ratio of a trajectory's average token-wise rank to its average negative log-likelihood, and is straightforward to compute and interpret. Across five student models and reasoning trajectories from 11 diverse teachers, RSR strongly correlates with post-training performance (average Spearman 0.86), outperforming existing metrics. We further demonstrate its practical utility in both trajectory selection and teacher selection.

Multi-marginal Schrödinger Bridges with Iterative Reference Refinement

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

  • 3 authors
·
Aug 12, 2024

Beneficial Reasoning Behaviors in Agentic Search and Effective Post-training to Obtain Them

Agentic search leverages LLMs to solve complex user information needs by executing a multi-step process of planning, searching, and synthesizing information to provide answers. This paradigm introduces unique challenges for LLMs' agentic reasoning capabilities when interacting with search systems. In this paper, we propose an LLM-based pipeline to study effective reasoning behavior patterns in agentic search by analyzing agentic search trajectories. Using this pipeline, we identify four beneficial reasoning behaviors: Information Verification, Authority Evaluation, Adaptive Search, and Error Recovery. Based on these findings, we propose a technique called Behavior Priming to train agentic search models. It synthesizes trajectories that exhibit these four behaviors and integrates them into the agentic search model through SFT, followed by standard reinforcement learning. Experiments on Qwen3-1.7B and Llama3.2-3B-Instruct across three web benchmarks and seven multi-hop QA benchmarks demonstrate that behavior priming 1) yields significant performance gains compared to training with direct RL, and 2) outperforms other SFT-then-RL baselines, such as those SFT on randomly selected trajectories or on trajectories with merely correct outcomes. Crucially, we demonstrate that the reasoning behaviors, rather than the correctness of the final answer, is the critical factor for achieving strong performance in RL: SFT on trajectories with reasoning behaviors but incorrect answers leads to comparable performance with SFT on those with reasoning behaviors and correct answers. Our analysis further reveals that the introduced reasoning behaviors endow models with more effective exploration (higher pass@k and entropy) and test-time scaling (longer trajectories) capabilities, providing a strong foundation for RL. Our code are avalible at https://github.com/cxcscmu/Behavior_Priming_For_Agentic_Search.

  • 3 authors
·
Oct 7, 2025

Student-in-the-Loop Chain-of-Thought Distillation via Generation-Time Selection

Large reasoning models achieve strong performance on complex tasks through long chain-of-thought (CoT) trajectories, but directly transferring such reasoning processes to smaller models remains challenging. A key difficulty is that not all teacher-generated reasoning trajectories are suitable for student learning. Existing approaches typically rely on post-hoc filtering, selecting trajectories after full generation based on heuristic criteria. However, such methods cannot control the generation process itself and may still produce reasoning paths that lie outside the student's learning capacity. To address this limitation, we propose Gen-SSD (Generation-time Self-Selection Distillation), a student-in-the-loop framework that performs generation-time selection. Instead of passively consuming complete trajectories, the student evaluates candidate continuations during the teacher's sampling process, guiding the expansion of only learnable reasoning paths and enabling early pruning of unhelpful branches. Experiments on mathematical reasoning benchmarks demonstrate that Gen-SSD consistently outperforms standard knowledge distillation and recent baselines, with improvements of around 5.9 points over Standard KD and up to 4.7 points over other baselines. Further analysis shows that Gen-SSD produces more stable and learnable reasoning trajectories, highlighting the importance of incorporating supervision during generation for effective distillation.

  • 5 authors
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Apr 2

TRAJEVAL: Decomposing Code Agent Trajectories for Fine-Grained Diagnosis

Code agents can autonomously resolve GitHub issues, yet when they fail, current evaluation provides no visibility into where or why. Metrics such as Pass@1 collapse an entire execution into a single binary outcome, making it difficult to identify where and why the agent went wrong. To address this limitation, we introduce TRAJEVAL, a diagnostic framework that decomposes agent trajectories into three interpretable stages: search (file localization), read (function comprehension), and edit (modification targeting). For each stage, we compute precision and recall by comparing against reference patches. Analyzing 16,758 trajectories across three agent architectures and seven models, we find universal inefficiencies (all agents examine approximately 22x more functions than necessary) yet distinct failure modes: GPT-5 locates relevant code but targets edits incorrectly, while Qwen-32B fails at file discovery entirely. We validate that these diagnostics are predictive, achieving model-level Pass@1 prediction within 0.87-2.1% MAE, and actionable: real-time feedback based on trajectory signals improves two state-of-the-art models by 2.2-4.6 percentage points while reducing costs by 20-31%. These results demonstrate that our framework not only provides a more fine-grained analysis of agent behavior, but also translates diagnostic signals into tangible performance gains. More broadly, TRAJEVAL transforms agent evaluation beyond outcome-based benchmarking toward mechanism-driven diagnosis of agent success and failure.

  • 9 authors
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Mar 24

AgentLens: Revealing The Lucky Pass Problem in SWE-Agent Evaluation

Evaluation of software engineering (SWE) agents is dominated by a binary signal: whether the final patch passes the tests. This outcome-only view treats a principled solution and a chaotic trial-and-error process as equivalent. We show that this equivalence is empirically false. We evaluate 2,614 OpenHands trajectories from eight model backends on 60 SWE-bench Verified tasks. Of these, 47 have enough passing trajectories to construct task-level process references, yielding a 1,815-trajectory evaluation subset. Among passing trajectories in this subset, 10.7% exhibit behavior we call a Lucky Pass: regression cycles, blind retries, missing verification, or temporally disordered exploration, implementation, and verification. We introduce AgentLens, a framework for process-level assessment of SWE-agent trajectories, and release AgentLens-Bench, a dataset of 1,815 trajectories annotated with quality scores, waste signals, divergence points, and 47 task-level Prefix Tree Acceptor (PTA) references. AgentLens builds PTA references by merging multiple passing solutions for the same task, and uses a context-sensitive intent labeler to assign actions to Exploration, Implementation, Verification, or Orchestration based on trajectory history rather than tool identity alone. On AgentLens-Bench, the quality score separates passing trajectories into Lucky, Solid, and Ideal tiers and further decomposes Lucky Passes into five recurring mechanisms. Across the eight model backends, Lucky rates range from 0.5% to 23.2%, and some models move by as many as five rank positions when ranked by quality score instead of pass rate. We release the anonymized project repository, including the AgentLens-Bench dataset and AgentLens SDK, at https://github.com/microsoft/code-agent-state-trajectories/.

  • 7 authors
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May 12 3

Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation

This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for that object. Whereas standard return maximization tends to converge to a single return-maximizing sequence, there are cases where we would like to sample a diverse set of high-return solutions. These arise, for example, in black-box function optimization when few rounds are possible, each with large batches of queries, where the batches should be diverse, e.g., in the design of new molecules. One can also see this as a problem of approximately converting an energy function to a generative distribution. While MCMC methods can achieve that, they are expensive and generally only perform local exploration. Instead, training a generative policy amortizes the cost of search during training and yields to fast generation. Using insights from Temporal Difference learning, we propose GFlowNet, based on a view of the generative process as a flow network, making it possible to handle the tricky case where different trajectories can yield the same final state, e.g., there are many ways to sequentially add atoms to generate some molecular graph. We cast the set of trajectories as a flow and convert the flow consistency equations into a learning objective, akin to the casting of the Bellman equations into Temporal Difference methods. We prove that any global minimum of the proposed objectives yields a policy which samples from the desired distribution, and demonstrate the improved performance and diversity of GFlowNet on a simple domain where there are many modes to the reward function, and on a molecule synthesis task.

  • 5 authors
·
Jun 8, 2021

Sampling-based Algorithms for Optimal Motion Planning

During the last decade, sampling-based path planning algorithms, such as Probabilistic RoadMaps (PRM) and Rapidly-exploring Random Trees (RRT), have been shown to work well in practice and possess theoretical guarantees such as probabilistic completeness. However, little effort has been devoted to the formal analysis of the quality of the solution returned by such algorithms, e.g., as a function of the number of samples. The purpose of this paper is to fill this gap, by rigorously analyzing the asymptotic behavior of the cost of the solution returned by stochastic sampling-based algorithms as the number of samples increases. A number of negative results are provided, characterizing existing algorithms, e.g., showing that, under mild technical conditions, the cost of the solution returned by broadly used sampling-based algorithms converges almost surely to a non-optimal value. The main contribution of the paper is the introduction of new algorithms, namely, PRM* and RRT*, which are provably asymptotically optimal, i.e., such that the cost of the returned solution converges almost surely to the optimum. Moreover, it is shown that the computational complexity of the new algorithms is within a constant factor of that of their probabilistically complete (but not asymptotically optimal) counterparts. The analysis in this paper hinges on novel connections between stochastic sampling-based path planning algorithms and the theory of random geometric graphs.

  • 2 authors
·
May 4, 2011

On Kinetic Optimal Probability Paths for Generative Models

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

  • 5 authors
·
Jun 11, 2023

Illuminating search spaces by mapping elites

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

  • 2 authors
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Apr 19, 2015

PFGM++: Unlocking the Potential of Physics-Inspired Generative Models

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

  • 6 authors
·
Feb 8, 2023

TraceVision: Trajectory-Aware Vision-Language Model for Human-Like Spatial Understanding

Recent Large Vision-Language Models (LVLMs) demonstrate remarkable capabilities in image understanding and natural language generation. However, current approaches focus predominantly on global image understanding, struggling to simulate human visual attention trajectories and explain associations between descriptions and specific regions. We propose TraceVision, a unified vision-language model integrating trajectory-aware spatial understanding in an end-to-end framework. TraceVision employs a Trajectory-aware Visual Perception (TVP) module for bidirectional fusion of visual features and trajectory information. We design geometric simplification to extract semantic keypoints from raw trajectories and propose a three-stage training pipeline where trajectories guide description generation and region localization. We extend TraceVision to trajectory-guided segmentation and video scene understanding, enabling cross-frame tracking and temporal attention analysis. We construct the Reasoning-based Interactive Localized Narratives (RILN) dataset to enhance logical reasoning and interpretability. Extensive experiments on trajectory-guided captioning, text-guided trajectory prediction, understanding, and segmentation demonstrate that TraceVision achieves state-of-the-art performance, establishing a foundation for intuitive spatial interaction and interpretable visual understanding.

  • 8 authors
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Feb 23

Monitoring the Internal Monologue: Probe Trajectories Reveal Reasoning Dynamics

Large Reasoning Models (LRMs) introduce new opportunities for safety monitoring through their Chain of Thought (CoT) reasoning. However, CoT is not always faithful to the model's final output, undermining its reliability as a monitoring tool. To address this, we investigate the hidden representations of LRMs to determine whether future behavior can be predicted from prompt and CoT representations. By evaluating a probe at each generated token, we construct a probe trajectory, the continuous evolution of a concept's probability across the reasoning process. We find that future model behavior is more distinguishable when examined over the full trajectory than from a single static prediction. To characterize these temporal dynamics, we extract signal-processing features that capture volatility, trend, and steady-state behavior, significantly improving the separation of future model states. We also present two methodological insights. First, template-based training data achieves near-parity with dynamically generated model responses, eliminating the need for a costly initial inference and labeling. Second, the choice of pooling operation is critical: average-pooling and last-token methods collapse to near-random performance, while max-pooling achieves up to 95% AUROC and yields stable probe trajectories. Using four datasets and four reasoning models across the domains of safety and mathematics, we demonstrate that trajectory features encode task-specific dynamics that improve outcome separability. These findings establish probe trajectories as a complementary framework for monitoring LRM behavior. Warning: This article contains potentially harmful content.

  • 5 authors
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May 17 1

Mathematical modelling of flow and adsorption in a gas chromatograph

In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.

  • 5 authors
·
Oct 7, 2024

Better Training of GFlowNets with Local Credit and Incomplete Trajectories

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to represent and sample from a distribution) and amortized variational methods (as they can be used to learn to approximate and sample from an otherwise intractable posterior, given a prior and a likelihood). They are trained to generate an object x through a sequence of steps with probability proportional to some reward function R(x) (or exp(-E(x)) with E(x) denoting the energy function), given at the end of the generative trajectory. Like for other RL settings where the reward is only given at the end, the efficiency of training and credit assignment may suffer when those trajectories are longer. With previous GFlowNet work, no learning was possible from incomplete trajectories (lacking a terminal state and the computation of the associated reward). In this paper, we consider the case where the energy function can be applied not just to terminal states but also to intermediate states. This is for example achieved when the energy function is additive, with terms available along the trajectory. We show how to reparameterize the GFlowNet state flow function to take advantage of the partial reward already accrued at each state. This enables a training objective that can be applied to update parameters even with incomplete trajectories. Even when complete trajectories are available, being able to obtain more localized credit and gradients is found to speed up training convergence, as demonstrated across many simulations.

  • 4 authors
·
Feb 3, 2023

Admissible Velocity Propagation : Beyond Quasi-Static Path Planning for High-Dimensional Robots

Path-velocity decomposition is an intuitive yet powerful approach to address the complexity of kinodynamic motion planning. The difficult trajectory planning problem is solved in two separate, simpler, steps: first, find a path in the configuration space that satisfies the geometric constraints (path planning), and second, find a time-parameterization of that path satisfying the kinodynamic constraints. A fundamental requirement is that the path found in the first step should be time-parameterizable. Most existing works fulfill this requirement by enforcing quasi-static constraints in the path planning step, resulting in an important loss in completeness. We propose a method that enables path-velocity decomposition to discover truly dynamic motions, i.e. motions that are not quasi-statically executable. At the heart of the proposed method is a new algorithm -- Admissible Velocity Propagation -- which, given a path and an interval of reachable velocities at the beginning of that path, computes exactly and efficiently the interval of all the velocities the system can reach after traversing the path while respecting the system kinodynamic constraints. Combining this algorithm with usual sampling-based planners then gives rise to a family of new trajectory planners that can appropriately handle kinodynamic constraints while retaining the advantages associated with path-velocity decomposition. We demonstrate the efficiency of the proposed method on some difficult kinodynamic planning problems, where, in particular, quasi-static methods are guaranteed to fail.

  • 4 authors
·
Sep 29, 2016

Kinodynamic RRT*: Optimal Motion Planning for Systems with Linear Differential Constraints

We present Kinodynamic RRT*, an incremental sampling-based approach for asymptotically optimal motion planning for robots with linear differential constraints. Our approach extends RRT*, which was introduced for holonomic robots (Karaman et al. 2011), by using a fixed-final-state-free-final-time controller that exactly and optimally connects any pair of states, where the cost function is expressed as a trade-off between the duration of a trajectory and the expended control effort. Our approach generalizes earlier work on extending RRT* to kinodynamic systems, as it guarantees asymptotic optimality for any system with controllable linear dynamics, in state spaces of any dimension. Our approach can be applied to non-linear dynamics as well by using their first-order Taylor approximations. In addition, we show that for the rich subclass of systems with a nilpotent dynamics matrix, closed-form solutions for optimal trajectories can be derived, which keeps the computational overhead of our algorithm compared to traditional RRT* at a minimum. We demonstrate the potential of our approach by computing asymptotically optimal trajectories in three challenging motion planning scenarios: (i) a planar robot with a 4-D state space and double integrator dynamics, (ii) an aerial vehicle with a 10-D state space and linearized quadrotor dynamics, and (iii) a car-like robot with a 5-D state space and non-linear dynamics.

  • 2 authors
·
May 22, 2012

A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

  • 3 authors
·
Oct 29, 2025

Trajectory Geometry of Transformer Representations Across Layers

Understanding how transformer representations evolve across layers, not merely what they encode, remains an open problem in mechanistic interpretability. We recast the transformer forward pass as a discrete population trajectory through a high-dimensional representation manifold, drawing on geometric tools from computational neuroscience. Rather than probing for pre-specified features, we characterize trajectory geometry using five metrics computed directly in the ambient space: trajectory length, curvature, a semantic convergence index, layerwise cosine similarity, and representational stability. Across three model families (GPT-2, TinyLlama, Qwen2.5) and five controlled prompt families, we report four findings. First, semantically related prompts converge significantly in middle-to-late layers (peak CI 0.41--0.58, p<0.001, Mann-Whitney U), consistent with attractor-like dynamics. Second, reasoning tasks produce trajectories of greater curvature than lexical variations (0.71--0.83 rad vs. 0.27--0.31 rad), suggesting curvature encodes computational complexity. Third, ambiguous tokens exhibit trajectory bifurcation with up to 5.6x representational separation by the final layer, absent in unambiguous controls. Fourth, layerwise cosine similarity reveals a universal three-phase structure: encoding, elaboration, and output preparation, consistent across all three architectures. All four effects vanish under shuffled-layer and random-embedding controls. We release a fully open-source, model-agnostic pipeline and argue that trajectory geometry constitutes a principled, probe-free lens for mechanistic interpretability.

  • 3 authors
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Jun 9

Reproducible, Explainable, and Effective Evaluations of Agentic AI for Software Engineering

With the advancement of Agentic AI, researchers are increasingly leveraging autonomous agents to address challenges in software engineering (SE). However, the large language models (LLMs) that underpin these agents often function as black boxes, making it difficult to justify the superiority of Agentic AI approaches over baselines. Furthermore, missing information in the evaluation design description frequently renders the reproduction of results infeasible. To synthesize current evaluation practices for Agentic AI in SE, this study analyzes 18 papers on the topic, published or accepted by ICSE 2026, ICSE 2025, FSE 2025, ASE 2025, and ISSTA 2025. The analysis identifies prevailing approaches and their limitations in evaluating Agentic AI for SE, both in current research and potential future studies. To address these shortcomings, this position paper proposes a set of guidelines and recommendations designed to empower reproducible, explainable, and effective evaluations of Agentic AI in software engineering. In particular, we recommend that Agentic AI researchers make their Thought-Action-Result (TAR) trajectories and LLM interaction data, or summarized versions of these artifacts, publicly accessible. Doing so will enable subsequent studies to more effectively analyze the strengths and weaknesses of different Agentic AI approaches. To demonstrate the feasibility of such comparisons, we present a proof-of-concept case study that illustrates how TAR trajectories can support systematic analysis across approaches.

  • 2 authors
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Mar 31