Daily Papers

We investigate reinforcement learning (RL) for privileged planning in autonomous driving. State-of-the-art approaches for this task are rule-based, but these methods do not scale to the long tail. RL, on the other hand, is scalable and does not suffer from compounding errors like imitation learning. Contemporary RL approaches for driving use complex shaped rewards that sum multiple individual rewards, \eg~progress, position, or orientation rewards. We show that PPO fails to optimize a popular version of these rewards when the mini-batch size is increased, which limits the scalability of these approaches. Instead, we propose a new reward design based primarily on optimizing a single intuitive reward term: route completion. Infractions are penalized by terminating the episode or multiplicatively reducing route completion. We find that PPO scales well with higher mini-batch sizes when trained with our simple reward, even improving performance. Training with large mini-batch sizes enables efficient scaling via distributed data parallelism. We scale PPO to 300M samples in CARLA and 500M samples in nuPlan with a single 8-GPU node. The resulting model achieves 64 DS on the CARLA longest6 v2 benchmark, outperforming other RL methods with more complex rewards by a large margin. Requiring only minimal adaptations from its use in CARLA, the same method is the best learning-based approach on nuPlan. It scores 91.3 in non-reactive and 90.6 in reactive traffic on the Val14 benchmark while being an order of magnitude faster than prior work.

Spectral imaging offers promising applications across diverse domains, including medicine and urban scene understanding, and is already established as a critical modality in remote sensing. However, variability in channel dimensionality and captured wavelengths among spectral cameras impede the development of AI-driven methodologies, leading to camera-specific models with limited generalizability and inadequate cross-camera applicability. To address this bottleneck, we introduce CARL, a model for Camera-Agnostic Representation Learning across RGB, multispectral, and hyperspectral imaging modalities. To enable the conversion of a spectral image with any channel dimensionality to a camera-agnostic representation, we introduce a novel spectral encoder, featuring a self-attention-cross-attention mechanism, to distill salient spectral information into learned spectral representations. Spatio-spectral pre-training is achieved with a novel feature-based self-supervision strategy tailored to CARL. Large-scale experiments across the domains of medical imaging, autonomous driving, and satellite imaging demonstrate our model's unique robustness to spectral heterogeneity, outperforming on datasets with simulated and real-world cross-camera spectral variations. The scalability and versatility of the proposed approach position our model as a backbone for future spectral foundation models. Code and model weights are publicly available at https://github.com/IMSY-DKFZ/CARL.

Human-driven vehicles (HVs) exhibit complex and diverse behaviors. Accurately modeling such behavior is crucial for validating Robot Vehicles (RVs) in simulation and realizing the potential of mixed traffic control. However, existing approaches like parameterized models and data-driven techniques struggle to capture the full complexity and diversity. To address this, in this work, we introduce CARL, a hybrid technique combining imitation learning for close proximity car-following and probabilistic sampling for larger headways. We also propose two classes of RL-based RVs: a safety RV focused on maximizing safety and an efficiency RV focused on maximizing efficiency. Our experiments show that the safety RV increases Time-to-Collision above the critical 4 second threshold and reduces Deceleration Rate to Avoid a Crash by up to 80%, while the efficiency RV achieves improvements in throughput of up to 49%. These results demonstrate the effectiveness of CARL in enhancing both safety and efficiency in mixed traffic.

The convergence of low-altitude economies, embodied intelligence, and air-ground cooperative systems creates growing demand for simulation infrastructure capable of jointly modeling aerial and ground agents within a single physically coherent environment. Existing open-source platforms remain domain-segregated: driving simulators lack aerial dynamics, while multirotor simulators lack realistic ground scenes. Bridge-based co-simulation introduces synchronization overhead and cannot guarantee strict spatial-temporal consistency. We present CARLA-Air, an open-source infrastructure that unifies high-fidelity urban driving and physics-accurate multirotor flight within a single Unreal Engine process. The platform preserves both CARLA and AirSim native Python APIs and ROS 2 interfaces, enabling zero-modification code reuse. Within a shared physics tick and rendering pipeline, CARLA-Air delivers photorealistic environments with rule-compliant traffic, socially-aware pedestrians, and aerodynamically consistent UAV dynamics, synchronously capturing up to 18 sensor modalities across all platforms at each tick. The platform supports representative air-ground embodied intelligence workloads spanning cooperation, embodied navigation and vision-language action, multi-modal perception and dataset construction, and reinforcement-learning-based policy training. An extensible asset pipeline allows integration of custom robot platforms into the shared world. By inheriting AirSim's aerial capabilities -- whose upstream development has been archived -- CARLA-Air ensures this widely adopted flight stack continues to evolve within a modern infrastructure. Released with prebuilt binaries and full source: https://github.com/louiszengCN/CarlaAir

Simulators are indispensable for research in autonomous systems such as self-driving cars, autonomous robots and drones. Despite significant progress in various simulation aspects, such as graphical realism, an evident gap persists between the virtual and real-world environments. Since the ultimate goal is to deploy the autonomous systems in the real world, closing the sim2real gap is of utmost importance. In this paper, we employ a state-of-the-art approach to enhance the photorealism of simulated data, aligning them with the visual characteristics of real-world datasets. Based on this, we developed CARLA2Real, an easy-to-use, publicly available tool (plug-in) for the widely used and open-source CARLA simulator. This tool enhances the output of CARLA in near real-time, achieving a frame rate of 13 FPS, translating it to the visual style and realism of real-world datasets such as Cityscapes, KITTI, and Mapillary Vistas. By employing the proposed tool, we generated synthetic datasets from both the simulator and the enhancement model outputs, including their corresponding ground truth annotations for tasks related to autonomous driving. Then, we performed a number of experiments to evaluate the impact of the proposed approach on feature extraction and semantic segmentation methods when trained on the enhanced synthetic data. The results demonstrate that the sim2real gap is significant and can indeed be reduced by the introduced approach.

Safety evaluation for autonomous driving is dominated by rare, safety-critical interactions, motivating simulators that can deliberately synthesize corner cases with photorealistic observations. Corner-case generation is inherently a multi-source problem spanning visual representation, scene reasoning, and vehicle trajectory generation and control. Prior knowledge- and model-based approaches typically focus on scene or trajectory components in isolation, while diffusion-based methods attempt end-to-end generation but still struggle to ensure spatiotemporal consistency and physical realism. To unify these aspects within a single framework, we propose CARLA-GS, a modular corner-case synthesis pipeline that decouples visual representation, semantic reasoning, and physics-based execution while maintaining tight cross-module coupling. Starting from real driving data, we reconstruct an editable gaussian scene with additional geometry-consistent constraints. A multi-agent LLM then performs scene-level reasoning to identify risky interactions and generate intent-level waypoint trajectories, while the low-level motion control is delegated to CARLA, where a PID controller ensures kinematic and dynamic feasibility. The simulated vehicle states are finally re-projected into the gaussian scene for ego-centric rendering. This design enables high-level semantic reasoning, low-level physically executable motion, and photorealistic corner-case generation within a unified pipeline. Experiments on the Waymo Open Dataset show, both quantitatively and qualitatively, that our framework enables controllable corner-case generation and produces photorealistic, spatiotemporally consistent videos aligned with semantic intent and physically feasible motion.

For a family of two-matrix models \[ 1{2} Tr(A^2+B^2) - g{4} Tr(A^4+B^4) - cases h{2} Tr( A BA B) \\ h{4} Tr( A BA B+ ABBA ) \\ h{2} Tr( A B BA ) cases \] with hermitian A and B, we provide, in each case, a Monte Carlo estimate of the boundary of the maximal convergence domain in the (h,g)-plane. The results are discussed comparing with exact solutions (in agreement with the only analytically solved case) and phase diagrams obtained by means of the functional renormalization group.

Prognostic Health Management (PHM) systems monitor and predict equipment health. A key task is Remaining Useful Life (RUL) estimation, which predicts how long a component, such as a rolling element bearing, will operate before failure. Many RUL methods exist but often lack generalizability and robustness under changing operating conditions. This paper introduces CARLE, a hybrid AI framework that combines deep and shallow learning to address these challenges. CARLE uses Res-CNN and Res-LSTM blocks with multi-head attention and residual connections to capture spatial and temporal degradation patterns, and a Random Forest Regressor (RFR) for stable, accurate RUL prediction. A compact preprocessing pipeline applies Gaussian filtering for noise reduction and Continuous Wavelet Transform (CWT) for time-frequency feature extraction. We evaluate CARLE on the XJTU-SY and PRONOSTIA bearing datasets. Ablation studies measure each component's contribution, while noise and cross-domain experiments test robustness and generalization. Comparative results show CARLE outperforms several state-of-the-art methods, especially under dynamic conditions. Finally, we analyze model interpretability with LIME and SHAP to assess transparency and trustworthiness.

Unsupervised Domain Adaptation demonstrates great potential to mitigate domain shifts by transferring models from labeled source domains to unlabeled target domains. While Unsupervised Domain Adaptation has been applied to a wide variety of complex vision tasks, only few works focus on lane detection for autonomous driving. This can be attributed to the lack of publicly available datasets. To facilitate research in these directions, we propose CARLANE, a 3-way sim-to-real domain adaptation benchmark for 2D lane detection. CARLANE encompasses the single-target datasets MoLane and TuLane and the multi-target dataset MuLane. These datasets are built from three different domains, which cover diverse scenes and contain a total of 163K unique images, 118K of which are annotated. In addition we evaluate and report systematic baselines, including our own method, which builds upon Prototypical Cross-domain Self-supervised Learning. We find that false positive and false negative rates of the evaluated domain adaptation methods are high compared to those of fully supervised baselines. This affirms the need for benchmarks such as CARLANE to further strengthen research in Unsupervised Domain Adaptation for lane detection. CARLANE, all evaluated models and the corresponding implementations are publicly available at https://carlanebenchmark.github.io.

We introduce CARLA, an open-source simulator for autonomous driving research. CARLA has been developed from the ground up to support development, training, and validation of autonomous urban driving systems. In addition to open-source code and protocols, CARLA provides open digital assets (urban layouts, buildings, vehicles) that were created for this purpose and can be used freely. The simulation platform supports flexible specification of sensor suites and environmental conditions. We use CARLA to study the performance of three approaches to autonomous driving: a classic modular pipeline, an end-to-end model trained via imitation learning, and an end-to-end model trained via reinforcement learning. The approaches are evaluated in controlled scenarios of increasing difficulty, and their performance is examined via metrics provided by CARLA, illustrating the platform's utility for autonomous driving research. The supplementary video can be viewed at https://youtu.be/Hp8Dz-Zek2E

Recent advances in 3D Gaussian Splatting have demonstrated unprecedented success in novel view synthesis. However, the substantial inference and storage overhead driven by high-order Spherical Harmonics (SH) are primary bottlenecks for mobile platforms. In this paper, we present Flux-GS, a real-time Gaussian Splatting method designed to achieve high-fidelity rendering with significantly reduced overhead for resource-constrained mobile platforms. We first propose a Monte Carlo Specular Energy Aggregator, sampling third-order radiance residuals and aggregating specular energy into a compact latent space. In this way, our method effectively preserves visually salient lighting features in lower-order bands without expensive distillation or pre-training. To mitigate the high-frequency details lost during compression, we introduce an Attribute-Conditioned SH Enhancement module. This module predicts Gaussian-aware offsets based on intrinsic Gaussian attributes, which enhance the first-order SH representation prior to inference, without extra inference costs. Furthermore, the original single-view gradient-based densification is prone to producing excessive Gaussians and overfitting to a certain view. We address these limitations by proposing a Multi-view Alpha-based Densification and Pruning strategy. By leveraging multi-view guidance, we ensure multi-view structure consistency and the precise removal of redundant primitives. Extensive experiments demonstrate that Flux-GS achieves substantial parameter reduction while maintaining competitive visual quality, offering a robust and scalable solution for real-time mobile rendering. Code: magenta{https://xiaobiaodu.github.io/flux-gs-project/{https://xiaobiaodu.github.io/flux-gs-project/}}.

Random Sample Consensus (RANSAC) is a fundamental approach for robustly estimating parametric models from noisy data. Existing learning-based RANSAC methods utilize deep learning to enhance the robustness of RANSAC against outliers. However, these approaches are trained and tested on the data generated by the same algorithms, leading to limited generalization to out-of-distribution data during inference. Therefore, in this paper, we introduce a novel diffusion-based paradigm that progressively injects noise into ground-truth data, simulating the noisy conditions for training learning-based RANSAC. To enhance data diversity, we incorporate Monte Carlo sampling into the diffusion paradigm, approximating diverse data distributions by introducing different types of randomness at multiple stages. We evaluate our approach in the context of feature matching through comprehensive experiments on the ScanNet and MegaDepth datasets. The experimental results demonstrate that our Monte Carlo diffusion mechanism significantly improves the generalization ability of learning-based RANSAC. We also develop extensive ablation studies that highlight the effectiveness of key components in our framework.

We propose Monte Carlo Permutation Search (MCPS), a general-purpose Monte Carlo Tree Search (MCTS) algorithm that improves upon the GRAVE algorithm. MCPS is relevant when deep reinforcement learning is not an option, or when the computing power available before play is not substantial, such as in General Game Playing, for example. The principle of MCPS is to include in the exploration term of a node the statistics on all the playouts that contain all the moves on the path from the root to the node. We extensively test MCPS on a variety of games: board games, wargame, investment game, video game and multi-player games. MCPS has better results than GRAVE in all the two-player games. It has equivalent results for multi-player games because these games are inherently balanced even when players have different strengths. We also show that using abstract codes for moves instead of exact codes can be beneficial to both MCPS and GRAVE, as they improve the permutation statistics and the AMAF statistics. We also provide a mathematical derivation of the formulas used for weighting the three sources of statistics. These formulas are an improvement on the GRAVE formula since they no longer use the bias hyperparameter of GRAVE. Moreover, MCPS is not sensitive to the ref hyperparameter.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

Large language models (LLMs) have demonstrated their remarkable capacity across a variety of tasks. However, reasoning remains a challenge for LLMs. To improve LLMs' reasoning ability, process supervision has proven to be better than outcome supervision. In this work, we study using Monte Carlo Tree Search (MCTS) to generate process supervision data with LLMs themselves for training them. We sample reasoning steps with an LLM and assign each step a score that captures its "relative correctness," and the LLM is then trained by minimizing weighted log-likelihood of generating the reasoning steps. This generate-then-train process is repeated iteratively until convergence.Our experimental results demonstrate that the proposed methods considerably improve the performance of LLMs on two mathematical reasoning datasets. Furthermore, models trained on one dataset also exhibit improved performance on the other, showing the transferability of the enhanced reasoning ability.

Monte Carlo Tree Search (MCTS) is a powerful algorithm for solving complex decision-making problems. This paper presents an optimized MCTS implementation applied to the FrozenLake environment, a classic reinforcement learning task characterized by stochastic transitions. The optimization leverages cumulative reward and visit count tables along with the Upper Confidence Bound for Trees (UCT) formula, resulting in efficient learning in a slippery grid world. We benchmark our implementation against other decision-making algorithms, including MCTS with Policy and Q-Learning, and perform a detailed comparison of their performance. The results demonstrate that our optimized approach effectively maximizes rewards and success rates while minimizing convergence time, outperforming baseline methods, especially in environments with inherent randomness.

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte Carlo Tree Search (MCTS) to iteratively collect preference data, utilizing its look-ahead ability to break down instance-level rewards into more granular step-level signals. To enhance consistency in intermediate steps, we combine outcome validation and stepwise self-evaluation, continually updating the quality assessment of newly generated data. The proposed algorithm employs Direct Preference Optimization (DPO) to update the LLM policy using this newly generated step-level preference data. Theoretical analysis reveals the importance of using on-policy sampled data for successful self-improving. Extensive evaluations on various arithmetic and commonsense reasoning tasks demonstrate remarkable performance improvements over existing models. For instance, our approach outperforms the Mistral-7B Supervised Fine-Tuning (SFT) baseline on GSM8K, MATH, and ARC-C, with substantial increases in accuracy to 81.8% (+5.9%), 34.7% (+5.8%), and 76.4% (+15.8%), respectively. Additionally, our research delves into the training and inference compute tradeoff, providing insights into how our method effectively maximizes performance gains. Our code is publicly available at https://github.com/YuxiXie/MCTS-DPO.

Automatic food recipe generation methods provide a creative tool for chefs to explore and to create new, and interesting culinary delights. Given the recent success of large language models (LLMs), they have the potential to create new recipes that can meet individual preferences, dietary constraints, and adapt to what is in your refrigerator. Existing research on using LLMs to generate recipes has shown that LLMs can be finetuned to generate realistic-sounding recipes. However, on close examination, these generated recipes often fail to meet basic requirements like including chicken as an ingredient in chicken dishes. In this paper, we propose RecipeMC, a text generation method using GPT-2 that relies on Monte Carlo Tree Search (MCTS). RecipeMC allows us to define reward functions to put soft constraints on text generation and thus improve the credibility of the generated recipes. Our results show that human evaluators prefer recipes generated with RecipeMC more often than recipes generated with other baseline methods when compared with real recipes.

Monte Carlo (MC) integration has been employed as the standard approximation method for the Sliced Wasserstein (SW) distance, whose analytical expression involves an intractable expectation. However, MC integration is not optimal in terms of absolute approximation error. To provide a better class of empirical SW, we propose quasi-sliced Wasserstein (QSW) approximations that rely on Quasi-Monte Carlo (QMC) methods. For a comprehensive investigation of QMC for SW, we focus on the 3D setting, specifically computing the SW between probability measures in three dimensions. In greater detail, we empirically evaluate various methods to construct QMC point sets on the 3D unit-hypersphere, including the Gaussian-based and equal area mappings, generalized spiral points, and optimizing discrepancy energies. Furthermore, to obtain an unbiased estimator for stochastic optimization, we extend QSW to Randomized Quasi-Sliced Wasserstein (RQSW) by introducing randomness in the discussed point sets. Theoretically, we prove the asymptotic convergence of QSW and the unbiasedness of RQSW. Finally, we conduct experiments on various 3D tasks, such as point-cloud comparison, point-cloud interpolation, image style transfer, and training deep point-cloud autoencoders, to demonstrate the favorable performance of the proposed QSW and RQSW variants.

Single-frame infrared small target (SIRST) detection aims at separating small targets from clutter backgrounds on infrared images. Recently, deep learning based methods have achieved promising performance on SIRST detection, but at the cost of a large amount of training data with expensive pixel-level annotations. To reduce the annotation burden, we propose the first method to achieve SIRST detection with single-point supervision. The core idea of this work is to recover the per-pixel mask of each target from the given single point label by using clustering approaches, which looks simple but is indeed challenging since targets are always insalient and accompanied with background clutters. To handle this issue, we introduce randomness to the clustering process by adding noise to the input images, and then obtain much more reliable pseudo masks by averaging the clustered results. Thanks to this "Monte Carlo" clustering approach, our method can accurately recover pseudo masks and thus turn arbitrary fully supervised SIRST detection networks into weakly supervised ones with only single point annotation. Experiments on four datasets demonstrate that our method can be applied to existing SIRST detection networks to achieve comparable performance with their fully supervised counterparts, which reveals that single-point supervision is strong enough for SIRST detection. Our code will be available at: https://github.com/YeRen123455/SIRST-Single-Point-Supervision.

Monte Carlo Tree Search (MCTS) is a powerful approach to designing game-playing bots or solving sequential decision problems. The method relies on intelligent tree search that balances exploration and exploitation. MCTS performs random sampling in the form of simulations and stores statistics of actions to make more educated choices in each subsequent iteration. The method has become a state-of-the-art technique for combinatorial games, however, in more complex games (e.g. those with high branching factor or real-time ones), as well as in various practical domains (e.g. transportation, scheduling or security) an efficient MCTS application often requires its problem-dependent modification or integration with other techniques. Such domain-specific modifications and hybrid approaches are the main focus of this survey. The last major MCTS survey has been published in 2012. Contributions that appeared since its release are of particular interest for this review.

The combination of Monte-Carlo tree search (MCTS) with deep reinforcement learning has led to significant advances in artificial intelligence. However, AlphaZero, the current state-of-the-art MCTS algorithm, still relies on handcrafted heuristics that are only partially understood. In this paper, we show that AlphaZero's search heuristics, along with other common ones such as UCT, are an approximation to the solution of a specific regularized policy optimization problem. With this insight, we propose a variant of AlphaZero which uses the exact solution to this policy optimization problem, and show experimentally that it reliably outperforms the original algorithm in multiple domains.

Although RLVR has become an essential component for developing advanced reasoning skills in LLMs, contemporary studies have documented training plateaus that emerge following thousands of optimization steps, demonstrating notable decreases in performance gains despite increased computational investment. This limitation stems from the sparse exploration patterns inherent in current RLVR practices, where models rely on limited rollouts that often miss critical reasoning paths and fail to provide systematic coverage of the solution space. We present DeepSearch, a framework that integrates Monte Carlo Tree Search directly into RLVR training. In contrast to existing methods that rely on tree search only at inference, DeepSearch embeds structured search into the training loop, enabling systematic exploration and fine-grained credit assignment across reasoning steps. Through training-time exploration, DeepSearch addresses the fundamental bottleneck of insufficient exploration, which leads to diminishing performance improvements over prolonged training steps. Our contributions include: (1) a global frontier selection strategy that prioritizes promising nodes across the search tree, (2) selection with entropy-based guidance that identifies confident paths for supervision, and (3) adaptive replay buffer training with solution caching for efficiency. Experiments on mathematical reasoning benchmarks show that DeepSearch achieves 62.95% average accuracy and establishes a new state-of-the-art for 1.5B reasoning models - using 5.7x fewer GPU hours than extended training approaches. These results highlight the importance of strategic exploration over brute-force scaling and demonstrate the promise of algorithmic innovation for advancing RLVR methodologies. DeepSearch establishes a new direction for scaling reasoning capabilities through systematic search rather than prolonged computation.

LLM agents operate in two distinct regimes: open-weight agents amenable to reinforcement learning (RL) and black-box agents whose behaviour must be controlled purely at test time. Although black-box agents are often backed by state-of-the-art proprietary LLMs, API-only access precludes parameter-level optimization, rendering most RL methods inapplicable. To address this limitation, we turn to a known equivalence between RL and Bayesian inference. We propose Agentic Monte Carlo (AMC) to directly sample from the optimal policy of a black-box agent rather than training it through RL. The optimal policy is a posterior over trajectories whose prior we define as the fixed black-box LLM agent. We employ Sequential Monte Carlo to sample from this posterior by learning a value function to steer the agent while leaving the underlying black-box model unchanged. We validate AMC on three diverse environments from the AgentGym benchmark, demonstrating significant improvements over prompting baselines and even outperforming Group Relative Policy Optimization (GRPO) as we scale the test-time compute of our method. AMC demonstrates the feasibility of performing principled RL-style optimization of black-box LLM agents. Code is available at https://github.com/layer6ai-labs/Agentic-Monte-Carlo

This work presents self-rewarding sequential Monte Carlo (SMC), an inference-time scaling algorithm enabling effective sampling of masked diffusion language models (MDLMs). Our algorithm stems from the observation that most existing MDLMs rely on a confidence-based sampling strategy, where only tokens with the highest prediction confidence are preserved at each step. This restricts the generation to a noise-sensitive, greedy decoding paradigm, resulting in an inevitable collapse in the diversity of possible paths. We address this problem by launching multiple interacting diffusion processes in parallel, referred to as particles, for trajectory exploration. Importantly, we introduce the trajectory-level confidence as a self-rewarding signal for assigning particle importance weights. During sampling, particles are iteratively weighted and resampled to systematically steer generation towards globally confident, high-quality samples. Our self-rewarding SMC is verified on various masked diffusion language models and benchmarks, achieving significant improvement without extra training or reward guidance, while effectively converting parallel inference capacity into improved sampling quality. Our code is available at https://github.com/Algolzw/self-rewarding-smc.

Appropriately designing the proposal kernel of particle filters is an issue of significant importance, since a bad choice may lead to deterioration of the particle sample and, consequently, waste of computational power. In this paper we introduce a novel algorithm adaptively approximating the so-called optimal proposal kernel by a mixture of integrated curved exponential distributions with logistic weights. This family of distributions, referred to as mixtures of experts, is broad enough to be used in the presence of multi-modality or strongly skewed distributions. The mixtures are fitted, via online-EM methods, to the optimal kernel through minimisation of the Kullback-Leibler divergence between the auxiliary target and instrumental distributions of the particle filter. At each iteration of the particle filter, the algorithm is required to solve only a single optimisation problem for the whole particle sample, yielding an algorithm with only linear complexity. In addition, we illustrate in a simulation study how the method can be successfully applied to optimal filtering in nonlinear state-space models.

Workplace toxicity is widely recognized as detrimental to organizational culture, yet quantifying its direct impact on operational efficiency remains methodologically challenging due to the ethical and practical difficulties of reproducing conflict in human subjects. This study leverages Large Language Model (LLM) based Multi-Agent Systems to simulate 1-on-1 adversarial debates, creating a controlled "sociological sandbox". We employ a Monte Carlo method to simulate hundrets of discussions, measuring the convergence time (defined as the number of arguments required to reach a conclusion) between a baseline control group and treatment groups involving agents with "toxic" system prompts. Our results demonstrate a statistically significant increase of approximately 25\% in the duration of conversations involving toxic participants. We propose that this "latency of toxicity" serves as a proxy for financial damage in corporate and academic settings. Furthermore, we demonstrate that agent-based modeling provides a reproducible, ethical alternative to human-subject research for measuring the mechanics of social friction.

We propose Orthogonal Monte Carlo Dropout, a mechanism that enforces strict orthogonality when combining sparse semantic vectors without extra time complexity. Low-Rank Adaptation (LoRA), a popular fine-tuning method for large models, typically trains a module to represent a specific concept such as an object or a style. When multiple LoRA modules are merged, for example to generate an object in a particular style, their outputs (semantic vectors) may interfere with each other. Our method guarantees that merged LoRA modules remain orthogonal and thus free from direct interference. However, empirical analysis reveals that such orthogonality does not lead to the semantic disentanglement highlighted in prior work on compositional adaptation. This finding suggests that inter-LoRA orthogonality alone may be insufficient for achieving true semantic compositionality, prompting a re-examination of its role in adapter merging.

Video captioning can be used to assess the video understanding capabilities of Multimodal Large Language Models (MLLMs). However, existing benchmarks and evaluation protocols suffer from crucial issues, such as inadequate or homogeneous creation of key points, exorbitant cost of data creation, and limited evaluation scopes. To address these issues, we propose an automatic framework, named AutoCaption, which leverages Monte Carlo Tree Search (MCTS) to construct numerous and diverse descriptive sentences (i.e., key points) that thoroughly represent video content in an iterative way. This iterative captioning strategy enables the continuous enhancement of video details such as actions, objects' attributes, environment details, etc. We apply AutoCaption to curate MCTS-VCB, a fine-grained video caption benchmark covering video details, thereby enabling a comprehensive evaluation of MLLMs on the video captioning task. We evaluate more than 20 open- and closed-source MLLMs of varying sizes on MCTS-VCB. Results show that MCTS-VCB can effectively and comprehensively evaluate the video captioning capability, with Gemini-1.5-Pro achieving the highest F1 score of 71.2. Interestingly, we fine-tune InternVL2.5-8B with the AutoCaption-generated data, which helps the model achieve an overall improvement of 25.0% on MCTS-VCB and 16.3% on DREAM-1K, further demonstrating the effectiveness of AutoCaption. The code and data are available at https://github.com/tjunlp-lab/MCTS-VCB.

Text-to-SQL, which enables natural language interaction with databases, serves as a pivotal method across diverse industries. With new, more powerful large language models (LLMs) emerging every few months, fine-tuning has become incredibly costly, labor-intensive, and error-prone. As an alternative, zero-shot Text-to-SQL, which leverages the growing knowledge and reasoning capabilities encoded in LLMs without task-specific fine-tuning, presents a promising and more challenging direction. To address this challenge, we propose Alpha-SQL, a novel approach that leverages a Monte Carlo Tree Search (MCTS) framework to iteratively infer SQL construction actions based on partial SQL query states. To enhance the framework's reasoning capabilities, we introduce LLM-as-Action-Model to dynamically generate SQL construction actions during the MCTS process, steering the search toward more promising SQL queries. Moreover, Alpha-SQL employs a self-supervised reward function to evaluate the quality of candidate SQL queries, ensuring more accurate and efficient query generation. Experimental results show that Alpha-SQL achieves 69.7% execution accuracy on the BIRD development set, using a 32B open-source LLM without fine-tuning. Alpha-SQL outperforms the best previous zero-shot approach based on GPT-4o by 2.5% on the BIRD development set.

We propose SC-MCTS*: a novel Monte Carlo Tree Search (MCTS) reasoning algorithm for Large Language Models (LLMs), significantly improves both reasoning accuracy and speed. Our motivation comes from: 1. Previous MCTS LLM reasoning works often overlooked its biggest drawback--slower speed compared to CoT; 2. Previous research mainly used MCTS as a tool for LLM reasoning on various tasks with limited quantitative analysis or ablation studies of its components from reasoning interpretability perspective. 3. The reward model is the most crucial component in MCTS, however previous work has rarely conducted in-depth study or improvement of MCTS's reward models. Thus, we conducted extensive ablation studies and quantitative analysis on components of MCTS, revealing the impact of each component on the MCTS reasoning performance of LLMs. Building on this, (i) we designed a highly interpretable reward model based on the principle of contrastive decoding and (ii) achieved an average speed improvement of 51.9% per node using speculative decoding. Additionally, (iii) we improved UCT node selection strategy and backpropagation used in previous works, resulting in significant performance improvement. We outperformed o1-mini by an average of 17.4% on the Blocksworld multi-step reasoning dataset using Llama-3.1-70B with SC-MCTS*. Our code is available at https://github.com/zitian-gao/SC-MCTS.

Inference-time search algorithms such as Monte-Carlo Tree Search (MCTS) may seem unnecessary when generating natural language text based on state-of-the-art reinforcement learning such as Proximal Policy Optimization (PPO). In this paper, we demonstrate that it is possible to get extra mileage out of PPO by integrating MCTS on top. The key idea is not to throw out the value network, a byproduct of PPO training for evaluating partial output sequences, when decoding text out of the policy network. More concretely, we present a novel value-guided decoding algorithm called PPO-MCTS, which can integrate the value network from PPO to work closely with the policy network during inference-time generation. Compared to prior approaches based on MCTS for controlled text generation, the key strength of our approach is to reduce the fundamental mismatch of the scoring mechanisms of the partial outputs between training and test. Evaluation on four text generation tasks demonstrate that PPO-MCTS greatly improves the preferability of generated text compared to the standard practice of using only the PPO policy. Our results demonstrate the promise of search algorithms even on top of the aligned language models from PPO, and the under-explored benefit of the value network.

We propose a Monte Carlo sampler from the reverse diffusion process. Unlike the practice of diffusion models, where the intermediary updates -- the score functions -- are learned with a neural network, we transform the score matching problem into a mean estimation one. By estimating the means of the regularized posterior distributions, we derive a novel Monte Carlo sampling algorithm called reverse diffusion Monte Carlo (rdMC), which is distinct from the Markov chain Monte Carlo (MCMC) methods. We determine the sample size from the error tolerance and the properties of the posterior distribution to yield an algorithm that can approximately sample the target distribution with any desired accuracy. Additionally, we demonstrate and prove under suitable conditions that sampling with rdMC can be significantly faster than that with MCMC. For multi-modal target distributions such as those in Gaussian mixture models, rdMC greatly improves over the Langevin-style MCMC sampling methods both theoretically and in practice. The proposed rdMC method offers a new perspective and solution beyond classical MCMC algorithms for the challenging complex distributions.

Detecting oscillations in solar and stellar time series is complicated by non-stationary red noise and evolving background emission. Methods based on detrending and AR(1)-based wavelet analysis can introduce spurious periodicities and do not adequately describe time-dependent backgrounds. We develop a Bayesian approach that combines the continuous wavelet transform with MCMC sampling to infer a time-dependent background spectrum. The background is represented by a power-law plus white-noise component, with parameters allowed to vary smoothly in time, so that significance levels can be evaluated locally without explicit detrending. Tests with synthetic data show that injected oscillations are recovered reliably, while false detections are suppressed in pure-noise cases. Using a frequency-domain signal-to-noise ratio (S/N), we find that oscillations can be identified robustly when the S/N is greater than or equal to 2 under mixed noise conditions. The detectable period range is limited by wavelet resolution, from about 3-4 sampling intervals up to roughly one-quarter of the total duration. Application to GOES soft X-ray flare observations shows that the method isolates quasi-periodic oscillations with improved temporal localization compared to standard wavelet and Fourier-based approaches. Meanwhile, this behavior is consistent across a range of noise conditions and signal morphologies.

Discrete diffusion models have emerged as powerful frameworks for generating structured categorical data. However, efficiently sampling from reward-tilted distributions remains a fundamental challenge. While Twisted Sequential Monte Carlo (SMC) offers asymptotic exactness for this task, estimating the optimal twist function in discrete state spaces necessitates costly Monte Carlo approximations, resulting a severe computational bottleneck at inference. To overcome this limitation, we introduce Contrastive Distribution Matching (CDM), a novel framework that amortizes the cost of SMC inference by learning a parameterized twist function via positive and negative samples. For efficient training, we reformulate the gradient estimator to leverage the closed-form forward kernels of discrete diffusion models. In practice, evaluating our learned twist function incurs less than 5% additional computational overhead compared to a single forward pass of the base model. Through extensive empirical evaluations, we demonstrate that CDM consistently outperforms existing baselines under matched wall-clock time. We validate the effectiveness and versatility of our approach across a diverse range of applications, including toxic text generation, regulatory DNA sequence design, protein designability, and diffusion large language model alignment.

The standard Monte Carlo estimator I_N^{MC} of int fdω relies on independent samples from ω and has variance of order 1/N. Replacing the samples with a determinantal point process (DPP), a repulsive distribution, makes the estimator consistent, with variance rates that depend on how the DPP is adapted to f and ω. We examine two existing DPP-based estimators: one by Bardenet & Hardy (2020) with a rate of O(N^{-(1+1/d)}) for smooth f, but relying on a fixed DPP. The other, by Ermakov & Zolotukhin (1960), is unbiased with rate of order 1/N, like Monte Carlo, but its DPP is tailored to f. We revisit these estimators, generalize them to continuous settings, and provide sampling algorithms.

Large Language Model (LLM) agents are increasingly applied to complex, multi-step tasks that require interaction with diverse external tools across various domains. However, current LLM agent tool planning methods typically rely on greedy, reactive tool selection strategies that lack foresight and fail to account for inter-tool dependencies. In this paper, we present ToolTree, a novel Monte Carlo tree search-inspired planning paradigm for tool planning. ToolTree explores possible tool usage trajectories using a dual-stage LLM evaluation and bidirectional pruning mechanism that enables the agent to make informed, adaptive decisions over extended tool-use sequences while pruning less promising branches before and after the tool execution. Empirical evaluations across both open-set and closed-set tool planning tasks on 4 benchmarks demonstrate that ToolTree consistently improves performance while keeping the highest efficiency, achieving an average gain of around 10\% compared to the state-of-the-art planning paradigm.

Diffusion language models (DLMs) have recently emerged as a compelling alternative to autoregressive generation, offering parallel generation and improved global coherence. During inference, DLMs generate text by iteratively denoising masked sequences in parallel; however, determining which positions to unmask and which tokens to commit forms a large combinatorial search problem. Existing inference methods approximate this search using heuristics, which often yield suboptimal decoding paths; other approaches instead rely on additional training to guide token selection. To introduce a principled search mechanism for DLMs inference, we introduce MEDAL, a framework that integrates Monte Carlo Tree SEarch initialization for Diffusion LAnguage Model inference. We employ Monte Carlo Tree Search at the initialization stage to explore promising unmasking trajectories, providing a robust starting point for subsequent refinement. This integration is enabled by restricting the search space to high-confidence actions and prioritizing token choices that improve model confidence over remaining masked positions. Across multiple benchmarks, MEDAL achieves up to 22.0% improvement over existing inference strategies, establishing a new paradigm for search-based inference in diffusion language models.

Process reward models (PRMs) offer fine-grained, step-level evaluations that facilitate deeper reasoning processes in large language models (LLMs), proving effective in complex tasks like mathematical reasoning. However, developing PRMs is challenging due to the high cost and limited scalability of human-annotated data. Synthetic data from Monte Carlo (MC) estimation is a promising alternative but suffers from a high noise ratio, which can cause overfitting and hinder large-scale training. In this work, we conduct a preliminary study on the noise distribution in synthetic data from MC estimation, identifying that annotation models tend to both underestimate and overestimate step correctness due to limitations in their annotation capabilities. Building on these insights, we propose Self-Denoising Monte Carlo Annotation (SCAN), an efficient data synthesis and noise-tolerant learning framework. Our key findings indicate that: (1) Even lightweight models (e.g., 1.5B parameters) can produce high-quality annotations through a self-denoising strategy, enabling PRMs to achieve superior performance with only 6% the inference cost required by vanilla MC estimation. (2) With our robust learning strategy, PRMs can effectively learn from this weak supervision, achieving a 39.2 F1 score improvement (from 19.9 to 59.1) in ProcessBench. Despite using only a compact synthetic dataset, our models surpass strong baselines, including those trained on large-scale human-annotated datasets such as PRM800K. Furthermore, performance continues to improve as we scale up the synthetic data, highlighting the potential of SCAN for scalable, cost-efficient, and robust PRM training.

While LLMs excel at open-ended reasoning, they often struggle with cost-sensitive planning, either treating all actions as having equal cost or failing to stay within strict budgets. In this paper, we introduce Cost-Augmented Monte Carlo Tree Search (CATS), a novel approach that brings explicit cost-awareness into LLM-guided planning. Tight cost constraints push the planner to quickly identify infeasible solutions, while looser constraints encourage optimization for minimal cost. We benchmark top LLMs such as GPT-4.1, Claude-3.7-Sonnet, and DeepSeek-R1, against our CATS planner to evaluate their performance in cost-sensitive scenarios. Our experiments suggest that raw LLMs such as GPT-4.1 often falter under tight budgets, whereas CATS consistently delivers strong performance, achieving higher task success rates and better cost efficiency. CATS provides an effective solution for budget-aware decision-making by combining the reasoning power of LLMs with structured search.

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work has introduced Monte Carlo Tree Search (MCTS) to address these issues, limitations persist in the quality and diversity of thoughts generated, as well as in the scalar value feedback mechanisms used for node selection. In this study, we introduce Introspective Monte Carlo Tree Search (I-MCTS), a novel approach that iteratively expands tree nodes through an introspective process that meticulously analyzes solutions and results from parent and sibling nodes. This facilitates a continuous refinement of the node in the search tree, thereby enhancing the overall decision-making process. Furthermore, we integrate a Large Language Model (LLM)-based value model to facilitate direct evaluation of each node's solution prior to conducting comprehensive computational rollouts. A hybrid rewarding mechanism is implemented to seamlessly transition the Q-value from LLM-estimated scores to actual performance scores. This allows higher-quality nodes to be traversed earlier. Applied to the various ML tasks, our approach demonstrates a 6% absolute improvement in performance compared to the strong open-source AutoML agents, showcasing its effectiveness in enhancing agentic AutoML systems. Resource available at https://github.com/jokieleung/I-MCTS

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic k-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

In the post-pandemic world, manufacturing enterprises face increasing uncertainties, especially with vulnerabilities in global supply chains. Although supply chain management has been extensively studied, the critical influence of decision-makers (DMs) in these systems remains underexplored. This study studies the inventory management problem under risk using the newsvendor model by incorporating DMs risk preferences. By employing the Quantum Monte Carlo (QMC) combined with Quantum Amplitude Estimation (QAE) algorithm, the estimation of probabilities or expectation values can be done more efficiently. This offers near-quadratic speedup compared to classical Monte Carlo methods. Our findings illuminate the intricate relationship between risk-aware decision-making and inventory management, providing essential insights for enhancing supply chain resilience and adaptability in uncertain conditions

OpenMC is an open source Monte Carlo neutral particle transport application that has recently been ported to GPU using the OpenMP target offloading model. We examine the performance of OpenMC at scale on the Frontier, Polaris, and Aurora supercomputers, demonstrating that performance portability has been achieved by OpenMC across all three major GPU vendors (AMD, NVIDIA, and Intel). OpenMC's GPU performance is compared to both the traditional CPU-based version of OpenMC as well as several other state-of-the-art CPU-based Monte Carlo particle transport applications. We also provide historical context by analyzing OpenMC's performance on several legacy GPU and CPU architectures. This work includes some of the first published results for a scientific simulation application at scale on a supercomputer featuring Intel's Max series "Ponte Vecchio" GPUs. It is also one of the first demonstrations of a large scientific production application using the OpenMP target offloading model to achieve high performance on all three major GPU platforms.

Many machine learning applications require operating on a spatially distributed dataset. Despite technological advances, privacy considerations and communication constraints may prevent gathering the entire dataset in a central unit. In this paper, we propose a distributed sampling scheme based on the alternating direction method of multipliers, which is commonly used in the optimization literature due to its fast convergence. In contrast to distributed optimization, distributed sampling allows for uncertainty quantification in Bayesian inference tasks. We provide both theoretical guarantees of our algorithm's convergence and experimental evidence of its superiority to the state-of-the-art. For our theoretical results, we use convex optimization tools to establish a fundamental inequality on the generated local sample iterates. This inequality enables us to show convergence of the distribution associated with these iterates to the underlying target distribution in Wasserstein distance. In simulation, we deploy our algorithm on linear and logistic regression tasks and illustrate its fast convergence compared to existing gradient-based methods.

The Multi-Agent Pathfinding (MAPF) problem involves finding a set of conflict-free paths for a group of agents confined to a graph. In typical MAPF scenarios, the graph and the agents' starting and ending vertices are known beforehand, allowing the use of centralized planning algorithms. However, in this study, we focus on the decentralized MAPF setting, where the agents may observe the other agents only locally and are restricted in communications with each other. Specifically, we investigate the lifelong variant of MAPF, where new goals are continually assigned to the agents upon completion of previous ones. Drawing inspiration from the successful AlphaZero approach, we propose a decentralized multi-agent Monte Carlo Tree Search (MCTS) method for MAPF tasks. Our approach utilizes the agent's observations to recreate the intrinsic Markov decision process, which is then used for planning with a tailored for multi-agent tasks version of neural MCTS. The experimental results show that our approach outperforms state-of-the-art learnable MAPF solvers. The source code is available at https://github.com/AIRI-Institute/mats-lp.

We present a trainable framework for efficiently generating gauge configurations, and discuss ongoing work in this direction. In particular, we consider the problem of sampling configurations from a 4D SU(3) lattice gauge theory, and consider a generalized leapfrog integrator in the molecular dynamics update that can be trained to improve sampling efficiency. Code is available online at https://github.com/saforem2/l2hmc-qcd.

We introduce a novel approach to the executable semantic object rearrangement problem. In this challenge, a robot seeks to create an actionable plan that rearranges objects within a scene according to a pattern dictated by a natural language description. Unlike existing methods such as StructFormer and StructDiffusion, which tackle the issue in two steps by first generating poses and then leveraging a task planner for action plan formulation, our method concurrently addresses pose generation and action planning. We achieve this integration using a Language-Guided Monte-Carlo Tree Search (LGMCTS). Quantitative evaluations are provided on two simulation datasets, and complemented by qualitative tests with a real robot.

Rydberg atom arrays have emerged as a powerful platform to simulate a number of exotic quantum ground states and phase transitions. To verify these capabilities numerically, we develop a versatile quantum Monte Carlo sampling technique which operates in the reduced Hilbert space generated by enforcing the constraint of a Rydberg blockade. We use the framework of stochastic series expansion and show that in the restricted space, the configuration space of operator strings can be understood as a hard rod gas in d+1 dimensions. We use this mapping to develop cluster algorithms which can be visualized as various non-local movements of rods. We study the efficiency of each of our updates individually and collectively. To elucidate the utility of the algorithm, we show that it can efficiently generate the phase diagram of a Rydberg atom array, to temperatures much smaller than all energy scales involved, on a Kagom\'e link lattice. This is of broad interest as the presence of a Z_2 spin liquid has been hypothesized recently.

We introduce a Path Shadowing Monte-Carlo method, which provides prediction of future paths, given any generative model. At any given date, it averages future quantities over generated price paths whose past history matches, or `shadows', the actual (observed) history. We test our approach using paths generated from a maximum entropy model of financial prices, based on a recently proposed multi-scale analogue of the standard skewness and kurtosis called `Scattering Spectra'. This model promotes diversity of generated paths while reproducing the main statistical properties of financial prices, including stylized facts on volatility roughness. Our method yields state-of-the-art predictions for future realized volatility and allows one to determine conditional option smiles for the S\&P500 that outperform both the current version of the Path-Dependent Volatility model and the option market itself.

We revisit the problem of sampling from a target distribution that has a smooth strongly log-concave density everywhere in mathbb R^p. In this context, if no additional density information is available, the randomized midpoint discretization for the kinetic Langevin diffusion is known to be the most scalable method in high dimensions with large condition numbers. Our main result is a nonasymptotic and easy to compute upper bound on the Wasserstein-2 error of this method. To provide a more thorough explanation of our method for establishing the computable upper bound, we conduct an analysis of the midpoint discretization for the vanilla Langevin process. This analysis helps to clarify the underlying principles and provides valuable insights that we use to establish an improved upper bound for the kinetic Langevin process with the midpoint discretization. Furthermore, by applying these techniques we establish new guarantees for the kinetic Langevin process with Euler discretization, which have a better dependence on the condition number than existing upper bounds.

Even after fine-tuning and reinforcement learning, large language models (LLMs) can be difficult, if not impossible, to control reliably with prompts alone. We propose a new inference-time approach to enforcing syntactic and semantic constraints on the outputs of LLMs, called sequential Monte Carlo (SMC) steering. The key idea is to specify language generation tasks as posterior inference problems in a class of discrete probabilistic sequence models, and replace standard decoding with sequential Monte Carlo inference. For a computational cost similar to that of beam search, SMC can steer LLMs to solve diverse tasks, including infilling, generation under syntactic constraints, and prompt intersection. To facilitate experimentation with SMC steering, we present a probabilistic programming library, LLaMPPL (https://github.com/probcomp/hfppl), for concisely specifying new generation tasks as language model probabilistic programs, and automating steering of LLaMA-family Transformers.

Planning for goal-oriented dialogue often requires simulating future dialogue interactions and estimating task progress. Many approaches thus consider training neural networks to perform look-ahead search algorithms such as A* search and Monte Carlo Tree Search (MCTS). However, this training often requires abundant annotated data, which creates challenges when faced with noisy annotations or low-resource settings. We introduce GDP-Zero, an approach using Open-Loop MCTS to perform goal-oriented dialogue policy planning without any model training. GDP-Zero prompts a large language model to act as a policy prior, value function, user simulator, and system model during the tree search. We evaluate GDP-Zero on the goal-oriented task PersuasionForGood, and find that its responses are preferred over ChatGPT up to 59.32% of the time, and are rated more persuasive than ChatGPT during interactive evaluations.

In Reinforcement Learning (RL), an agent acts in an unknown environment to maximize the expected cumulative discounted sum of an external reward signal, i.e., the expected return. In practice, in many tasks of interest, such as policy optimization, the agent usually spends its interaction budget by collecting episodes of fixed length within a simulator (i.e., Monte Carlo simulation). However, given the discounted nature of the RL objective, this data collection strategy might not be the best option. Indeed, the rewards taken in early simulation steps weigh exponentially more than future rewards. Taking a cue from this intuition, in this paper, we design an a-priori budget allocation strategy that leads to the collection of trajectories of different lengths, i.e., truncated. The proposed approach provably minimizes the width of the confidence intervals around the empirical estimates of the expected return of a policy. After discussing the theoretical properties of our method, we make use of our trajectory truncation mechanism to extend Policy Optimization via Importance Sampling (POIS, Metelli et al., 2018) algorithm. Finally, we conduct a numerical comparison between our algorithm and POIS: the results are consistent with our theory and show that an appropriate truncation of the trajectories can succeed in improving performance.

The estimation of repeatedly nested expectations is a challenging task that arises in many real-world systems. However, existing methods generally suffer from high computational costs when the number of nestings becomes large. Fix any non-negative integer D for the total number of nestings. Standard Monte Carlo methods typically cost at least O(varepsilon^{-(2+D)}) and sometimes O(varepsilon^{-2(1+D)}) to obtain an estimator up to varepsilon-error. More advanced methods, such as multilevel Monte Carlo, currently only exist for D = 1. In this paper, we propose a novel Monte Carlo estimator called READ, which stands for "Recursive Estimator for Arbitrary Depth.'' Our estimator has an optimal computational cost of O(varepsilon^{-2}) for every fixed D under suitable assumptions, and a nearly optimal computational cost of O(varepsilon^{-2(1 + delta)}) for any 0 < delta < frac12 under much more general assumptions. Our estimator is also unbiased, which makes it easy to parallelize. The key ingredients in our construction are an observation of the problem's recursive structure and the recursive use of the randomized multilevel Monte Carlo method.

We present MidasTouch, a tactile perception system for online global localization of a vision-based touch sensor sliding on an object surface. This framework takes in posed tactile images over time, and outputs an evolving distribution of sensor pose on the object's surface, without the need for visual priors. Our key insight is to estimate local surface geometry with tactile sensing, learn a compact representation for it, and disambiguate these signals over a long time horizon. The backbone of MidasTouch is a Monte-Carlo particle filter, with a measurement model based on a tactile code network learned from tactile simulation. This network, inspired by LIDAR place recognition, compactly summarizes local surface geometries. These generated codes are efficiently compared against a precomputed tactile codebook per-object, to update the pose distribution. We further release the YCB-Slide dataset of real-world and simulated forceful sliding interactions between a vision-based tactile sensor and standard YCB objects. While single-touch localization can be inherently ambiguous, we can quickly localize our sensor by traversing salient surface geometries. Project page: https://suddhu.github.io/midastouch-tactile/

We present Loc-NeRF, a real-time vision-based robot localization approach that combines Monte Carlo localization and Neural Radiance Fields (NeRF). Our system uses a pre-trained NeRF model as the map of an environment and can localize itself in real-time using an RGB camera as the only exteroceptive sensor onboard the robot. While neural radiance fields have seen significant applications for visual rendering in computer vision and graphics, they have found limited use in robotics. Existing approaches for NeRF-based localization require both a good initial pose guess and significant computation, making them impractical for real-time robotics applications. By using Monte Carlo localization as a workhorse to estimate poses using a NeRF map model, Loc-NeRF is able to perform localization faster than the state of the art and without relying on an initial pose estimate. In addition to testing on synthetic data, we also run our system using real data collected by a Clearpath Jackal UGV and demonstrate for the first time the ability to perform real-time global localization with neural radiance fields. We make our code publicly available at https://github.com/MIT-SPARK/Loc-NeRF.

We propose efficient Langevin Monte Carlo algorithms for sampling distributions with nonsmooth convex composite potentials, which is the sum of a continuously differentiable function and a possibly nonsmooth function. We devise such algorithms leveraging recent advances in convex analysis and optimization methods involving Bregman divergences, namely the Bregman--Moreau envelopes and the Bregman proximity operators, and in the Langevin Monte Carlo algorithms reminiscent of mirror descent. The proposed algorithms extend existing Langevin Monte Carlo algorithms in two aspects -- the ability to sample nonsmooth distributions with mirror descent-like algorithms, and the use of the more general Bregman--Moreau envelope in place of the Moreau envelope as a smooth approximation of the nonsmooth part of the potential. A particular case of the proposed scheme is reminiscent of the Bregman proximal gradient algorithm. The efficiency of the proposed methodology is illustrated with various sampling tasks at which existing Langevin Monte Carlo methods are known to perform poorly.

The variational quantum Monte Carlo (VQMC) method received significant attention in the recent past because of its ability to overcome the curse of dimensionality inherent in many-body quantum systems. Close parallels exist between VQMC and the emerging hybrid quantum-classical computational paradigm of variational quantum algorithms. VQMC overcomes the curse of dimensionality by performing alternating steps of Monte Carlo sampling from a parametrized quantum state followed by gradient-based optimization. While VQMC has been applied to solve high-dimensional problems, it is known to be difficult to parallelize, primarily owing to the Markov Chain Monte Carlo (MCMC) sampling step. In this work, we explore the scalability of VQMC when autoregressive models, with exact sampling, are used in place of MCMC. This approach can exploit distributed-memory, shared-memory and/or GPU parallelism in the sampling task without any bottlenecks. In particular, we demonstrate the GPU-scalability of VQMC for solving up to ten-thousand dimensional combinatorial optimization problems.

We generalize the Hamiltonian Monte Carlo algorithm with a stack of neural network layers and evaluate its ability to sample from different topologies in a two dimensional lattice gauge theory. We demonstrate that our model is able to successfully mix between modes of different topologies, significantly reducing the computational cost required to generated independent gauge field configurations. Our implementation is available at https://github.com/saforem2/l2hmc-qcd .

An identification is found between meta-learning and the problem of determining the ground state of a randomly generated Hamiltonian drawn from a known ensemble. A model-agnostic meta-learning approach is proposed to solve the associated learning problem and a preliminary experimental study of random Max-Cut problems indicates that the resulting Meta Variational Monte Carlo accelerates training and improves convergence.

Advances in intelligent game playing agents have led to successes in perfect information games like Go and imperfect information games like Poker. The Information Set Monte Carlo Tree Search (ISMCTS) family of algorithms outperforms previous algorithms using Monte Carlo methods in imperfect information games. In this paper, Single Observer Information Set Monte Carlo Tree Search (SO-ISMCTS) is applied to Secret Hitler, a popular social deduction board game that combines traditional hidden role mechanics with the randomness of a card deck. This combination leads to a more complex information model than the hidden role and card deck mechanics alone. It is shown in 10108 simulated games that SO-ISMCTS plays as well as simpler rule based agents, and demonstrates the potential of ISMCTS algorithms in complicated information set domains.

Inspired by the latest developments in multilevel Monte Carlo (MLMC) methods and randomised sketching for linear algebra problems we propose a MLMC estimator for real-time processing of matrix structured random data. Our algorithm is particularly effective in handling high-dimensional inner products and matrix multiplication, in applications of image analysis and large-scale supervised learning.

State space models (SSM) have been widely applied for the analysis and visualization of large sequential datasets. Sequential Monte Carlo (SMC) is a very popular particle-based method to sample latent states from intractable posteriors. However, SSM is significantly influenced by the choice of the proposal. Recently Hamiltonian Monte Carlo (HMC) sampling has shown success in many practical problems. In this paper, we propose an SMC augmented by HMC (HSMC) for inference and model learning of nonlinear SSM, which can exempt us from learning proposals and reduce the model complexity significantly. Based on the measure preserving property of HMC, the particles directly generated by transition function can approximate the posterior of latent states arbitrarily well. In order to better adapt to the local geometry of latent space, the HMC is conducted on Riemannian manifold defined by a positive definite metric. In addition, we show that the proposed HSMC method can improve SSMs realized by both Gaussian Processes (GP) and Neural Network (NN).

Hamiltonian Monte Carlo has proven a remarkable empirical success, but only recently have we begun to develop a rigorous understanding of why it performs so well on difficult problems and how it is best applied in practice. Unfortunately, that understanding is confined within the mathematics of differential geometry which has limited its dissemination, especially to the applied communities for which it is particularly important. In this review I provide a comprehensive conceptual account of these theoretical foundations, focusing on developing a principled intuition behind the method and its optimal implementations rather of any exhaustive rigor. Whether a practitioner or a statistician, the dedicated reader will acquire a solid grasp of how Hamiltonian Monte Carlo works, when it succeeds, and, perhaps most importantly, when it fails.

We report an accurate study of interactions between Benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory (DFT) using different van der Waals (vdW) functionals. In our QMC calculations, we use accurate correlated trial wave functions including three-body Jastrow factors, and backflow transformations. We consider two benzene molecules in the parallel displaced (PD) geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the CCSD(T)/CBS limit is -2.65(2) kcal/mol [E. Miliordos et al, J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.

This paper introduces the MCT Self-Refine (MCTSr) algorithm, an innovative integration of Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS), designed to enhance performance in complex mathematical reasoning tasks. Addressing the challenges of accuracy and reliability in LLMs, particularly in strategic and mathematical reasoning, MCTSr leverages systematic exploration and heuristic self-refine mechanisms to improve decision-making frameworks within LLMs. The algorithm constructs a Monte Carlo search tree through iterative processes of Selection, self-refine, self-evaluation, and Backpropagation, utilizing an improved Upper Confidence Bound (UCB) formula to optimize the exploration-exploitation balance. Extensive experiments demonstrate MCTSr's efficacy in solving Olympiad-level mathematical problems, significantly improving success rates across multiple datasets, including GSM8K, GSM Hard, MATH, and Olympiad-level benchmarks, including Math Odyssey, AIME, and OlympiadBench. The study advances the application of LLMs in complex reasoning tasks and sets a foundation for future AI integration, enhancing decision-making accuracy and reliability in LLM-driven applications.

Building agents based on tree-search planning capabilities with learned models has achieved remarkable success in classic decision-making problems, such as Go and Atari. However, it has been deemed challenging or even infeasible to extend Monte Carlo Tree Search (MCTS) based algorithms to diverse real-world applications, especially when these environments involve complex action spaces and significant simulation costs, or inherent stochasticity. In this work, we introduce LightZero, the first unified benchmark for deploying MCTS/MuZero in general sequential decision scenarios. Specificially, we summarize the most critical challenges in designing a general MCTS-style decision-making solver, then decompose the tightly-coupled algorithm and system design of tree-search RL methods into distinct sub-modules. By incorporating more appropriate exploration and optimization strategies, we can significantly enhance these sub-modules and construct powerful LightZero agents to tackle tasks across a wide range of domains, such as board games, Atari, MuJoCo, MiniGrid and GoBigger. Detailed benchmark results reveal the significant potential of such methods in building scalable and efficient decision intelligence. The code is available as part of OpenDILab at https://github.com/opendilab/LightZero.

Recent advances in reasoning with large language models (LLMs) have shown the effectiveness of Monte Carlo Tree Search (MCTS) for generating high-quality intermediate trajectories, particularly in math and symbolic domains. Inspired by this, we explore how MCTS-derived trajectories, traditionally used for training value or reward models, can be repurposed to improve policy optimization in preference-based reinforcement learning (RL). Specifically, we focus on Group Relative Policy Optimization (GRPO), a recent algorithm that enables preference-consistent policy learning without value networks. We propose a staged GRPO training paradigm where completions are derived from partially revealed MCTS rollouts, introducing a novel tree-structured setting for advantage estimation. This leads to a rich class of prefix-conditioned reward signals, which we analyze theoretically and empirically. Our initial results indicate that while structured advantage estimation can stabilize updates and better reflect compositional reasoning quality, challenges such as advantage saturation and reward signal collapse remain. We propose heuristic and statistical solutions to mitigate these issues and discuss open challenges for learning under staged or tree-like reward structures.

Recent advancements in the field of reasoning using Large Language Models (LLMs) have created new possibilities for more complex and automatic Hardware Assertion Generation techniques. This paper introduces SANGAM, a SystemVerilog Assertion Generation framework using LLM-guided Monte Carlo Tree Search for the automatic generation of SVAs from industry-level specifications. The proposed framework utilizes a three-stage approach: Stage 1 consists of multi-modal Specification Processing using Signal Mapper, SPEC Analyzer, and Waveform Analyzer LLM Agents. Stage 2 consists of using the Monte Carlo Tree Self-Refine (MCTSr) algorithm for automatic reasoning about SVAs for each signal, and finally, Stage 3 combines the MCTSr-generated reasoning traces to generate SVA assertions for each signal. The results demonstrated that our framework, SANGAM, can generate a robust set of SVAs, performing better in the evaluation process in comparison to the recent methods.

Software engineers operating in complex and dynamic environments must continuously adapt to evolving requirements, learn iteratively from experience, and reconsider their approaches based on new insights. However, current large language model (LLM)-based software agents often rely on rigid processes and tend to repeat ineffective actions without the capacity to evaluate their performance or adapt their strategies over time. To address these challenges, we propose SWE-Search, a multi-agent framework that integrates Monte Carlo Tree Search (MCTS) with a self-improvement mechanism to enhance software agents' performance on repository-level software tasks. SWE-Search extends traditional MCTS by incorporating a hybrid value function that leverages LLMs for both numerical value estimation and qualitative evaluation. This enables self-feedback loops where agents iteratively refine their strategies based on both quantitative numerical evaluations and qualitative natural language assessments of pursued trajectories. The framework includes a SWE-Agent for adaptive exploration, a Value Agent for iterative feedback, and a Discriminator Agent that facilitates multi-agent debate for collaborative decision-making. Applied to the SWE-bench benchmark, our approach demonstrates a 23% relative improvement in performance across five models compared to standard open-source agents without MCTS. Our analysis reveals how performance scales with increased search depth and identifies key factors that facilitate effective self-evaluation in software agents. This work highlights the potential of self-evaluation driven search techniques to enhance agent reasoning and planning in complex, dynamic software engineering environments.

Numerous capability and safety techniques of Large Language Models (LLMs), including RLHF, automated red-teaming, prompt engineering, and infilling, can be cast as sampling from an unnormalized target distribution defined by a given reward or potential function over the full sequence. In this work, we leverage the rich toolkit of Sequential Monte Carlo (SMC) for these probabilistic inference problems. In particular, we use learned twist functions to estimate the expected future value of the potential at each timestep, which enables us to focus inference-time computation on promising partial sequences. We propose a novel contrastive method for learning the twist functions, and establish connections with the rich literature of soft reinforcement learning. As a complementary application of our twisted SMC framework, we present methods for evaluating the accuracy of language model inference techniques using novel bidirectional SMC bounds on the log partition function. These bounds can be used to estimate the KL divergence between the inference and target distributions in both directions. We apply our inference evaluation techniques to show that twisted SMC is effective for sampling undesirable outputs from a pretrained model (a useful component of harmlessness training and automated red-teaming), generating reviews with varied sentiment, and performing infilling tasks.

Real-world autonomous driving (AD) especially urban driving involves many corner cases. The lately released AD simulator CARLA v2 adds 39 common events in the driving scene, and provide more quasi-realistic testbed compared to CARLA v1. It poses new challenge to the community and so far no literature has reported any success on the new scenarios in V2 as existing works mostly have to rely on specific rules for planning yet they cannot cover the more complex cases in CARLA v2. In this work, we take the initiative of directly training a planner and the hope is to handle the corner cases flexibly and effectively, which we believe is also the future of AD. To our best knowledge, we develop the first model-based RL method named Think2Drive for AD, with a world model to learn the transitions of the environment, and then it acts as a neural simulator to train the planner. This paradigm significantly boosts the training efficiency due to the low dimensional state space and parallel computing of tensors in the world model. As a result, Think2Drive is able to run in an expert-level proficiency in CARLA v2 within 3 days of training on a single A6000 GPU, and to our best knowledge, so far there is no reported success (100\% route completion)on CARLA v2. We also propose CornerCase-Repository, a benchmark that supports the evaluation of driving models by scenarios. Additionally, we propose a new and balanced metric to evaluate the performance by route completion, infraction number, and scenario density, so that the driving score could give more information about the actual driving performance.

Temporally dense single-person "small data" have become widely available thanks to mobile apps and wearable sensors. Many caregivers and self-trackers want to use these data to help a specific person change their behavior to achieve desired health outcomes. Ideally, this involves discerning possible causes from correlations using that person's own observational time series data. In this paper, we estimate within-individual average treatment effects of physical activity on sleep duration, and vice-versa. We introduce the model twin randomization (MoTR; "motor") method for analyzing an individual's intensive longitudinal data. Formally, MoTR is an application of the g-formula (i.e., standardization, back-door adjustment) under serial interference. It estimates stable recurring effects, as is done in n-of-1 trials and single case experimental designs. We compare our approach to standard methods (with possible confounding) to show how to use causal inference to make better personalized recommendations for health behavior change, and analyze 222 days of Fitbit sleep and steps data for one of the authors.

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.

Stochastic differential equation (SDE)-based generative models have achieved substantial progress in conditional generation via training-free differentiable loss-guided approaches. However, existing methodologies utilizing posterior sam- pling typically confront a substantial estimation error, which results in inaccu- rate gradients for guidance and leading to inconsistent generation results. To mitigate this issue, we propose that performing an additional backward denois- ing step and Monte-Carlo sampling (ABMS) can achieve better guided diffu- sion, which is a plug-and-play adjustment strategy. To verify the effectiveness of our method, we provide theoretical analysis and propose the adoption of a dual-focus evaluation framework, which further serves to highlight the critical problem of cross-condition interference prevalent in existing approaches. We conduct experiments across various task settings and data types, mainly includ- ing conditional online handwritten trajectory generation, image inverse problems (inpainting, super resolution and gaussian deblurring) molecular inverse design and so on. Experimental results demonstrate that our approach can be effec- tively used with higher order samplers and consistently improves the quality of generation samples across all the different scenarios.

Underdamped Langevin dynamics (ULD) is a widely-used sampler for Gibbs distributions πpropto e^{-V}, and is often empirically effective in high dimensions. However, existing non-asymptotic convergence guarantees for discretized ULD typically scale polynomially with the ambient dimension d, leading to vacuous bounds when d is large. The main known dimension-free result concerns the randomized midpoint discretization in Wasserstein-2 distance (Liu et al.,2023), while dimension-independent guarantees for ULD discretizations in KL divergence have remained open. We close this gap by proving the first dimension-free KL divergence bounds for discretized ULD. Our analysis refines the KL local error framework (Altschuler et al., 2025) to a dimension-free setting and yields bounds that depend on tr(H), where H upper bounds the Hessian of V, rather than on d. As a consequence, we obtain improved iteration complexity for underdamped Langevin Monte Carlo relative to overdamped Langevin methods in regimes where tr(H)ll d.

Autonomous racing offers a rigorous setting to stress test perception, planning, and control under high speed and uncertainty. This paper proposes an approach to design and evaluate a software stack for an autonomous race car in CARLA: Car Learning to Act simulator, targeting competitive driving performance in the Formula Student UK Driverless (FS-AI) 2025 competition. By utilizing a 360° light detection and ranging (LiDAR), stereo camera, global navigation satellite system (GNSS), and inertial measurement unit (IMU) sensor via ROS 2 (Robot Operating System), the system reliably detects the cones marking the track boundaries at distances of up to 35 m. Optimized trajectories are computed considering vehicle dynamics and simulated environmental factors such as visibility and lighting to navigate the track efficiently. The complete autonomous stack is implemented in ROS 2 and validated extensively in CARLA on a dedicated vehicle (ADS-DV) before being ported to the actual hardware, which includes the Jetson AGX Orin 64GB, ZED2i Stereo Camera, Robosense Helios 16P LiDAR, and CHCNAV Inertial Navigation System (INS).

Inference-Time Scaling (ITS) improves language models by allocating more computation at generation time. Particle Filtering (PF) has emerged as a strong ITS method for complex mathematical reasoning tasks, but it is vulnerable when guided by process reward models, which often assign overconfident scores early in the reasoning process. This causes PF to suffer from premature exploitation: it myopically commits to locally promising trajectories, prunes potentially correct hypotheses, and converges to suboptimal solutions. This failure mode, known as particle impoverishment, is especially severe under constrained computational budgets. To address this, we analyze the problem and identify two root causes: a lack of diversity in the particle set due to overconfident resampling and consequent inability to assess the potential of a reasoning path. We introduce Entropic Particle Filtering (ePF), an algorithm that integrates two new techniques to solve these issues. The first technique, Entropic Annealing (EA), directly mitigates particle impoverishment by monitoring search diversity via entropy; when diversity drops, it intervenes by dynamically annealing the resampling distribution to preserve exploration. The second, an enhancement called Look-ahead Modulation (LaM), adds a predictive guide to evaluate a state's potential based on its successors. On several challenging math benchmarks, ePF significantly outperforms strong baselines and achieves up to a 50 % relative improvement in task reward. Together, these methods improve PF's resilience by balancing the exploration of diverse solution spaces with the exploitation of high-reward regions, ultimately leading to higher-quality solutions.

With current state-of-the-art approaches aimed at enhancing the reasoning capabilities of Large Language Models(LLMs) through iterative preference learning inspired by AlphaZero, we propose to further enhance the step-wise reasoning capabilities through intrinsic self-correction to some extent. Our work leverages step-wise preference learning to enhance self-verification via reinforcement learning. We initially conduct our work through a two-stage training procedure. At the first stage, the self-correction reasoning ability of an LLM is enhanced through its own predictions, relying entirely on self-generated data within the intrinsic self-correction to some extent. At the second stage, the baseline step-wise preference learning is leveraged via the application of the enhanced self-correct policy achieved at the first stage. In the evaluation of arithmetic reasoning tasks, our approach outperforms OpenMath2-Llama3.1-8B, dart-math-mistral-7b-uniform on MATH with increases in accuracy to 71.34%(+4.18%) and 48.06%(+4.94%) and LLama-3.1-8B-Instruct, Mistral-7B-Instruct-v0.1 on GSM8K with increases in accuracy to 86.76%(+2.00%) and 38.06%(+2.28%).

Accurately predicting customer Lifetime Value (LTV) is crucial for companies to optimize their revenue strategies. Traditional deep learning models for LTV prediction are effective but typically provide only point estimates and fail to capture model uncertainty in modeling user behaviors. To address this limitation, we propose a novel approach that enhances the architecture of purely neural network models by incorporating the Monte Carlo Dropout (MCD) framework. We benchmarked the proposed method using data from one of the most downloaded mobile games in the world, and demonstrated a substantial improvement in predictive Top 5\% Mean Absolute Percentage Error compared to existing state-of-the-art methods. Additionally, our approach provides confidence metric as an extra dimension for performance evaluation across various neural network models, facilitating more informed business decisions.

LLM agents enhanced by tree search algorithms have yielded notable performances in code generation. However, current search algorithms in this domain suffer from low search quality due to several reasons: 1) Ineffective design of the search space for the high-reasoning demands of code generation tasks, 2) Inadequate integration of code feedback with the search algorithm, and 3) Poor handling of negative feedback during the search, leading to reduced search efficiency and quality. To address these challenges, we propose to search for the reasoning process of the code and use the detailed feedback of code execution to refine erroneous thoughts during the search. In this paper, we introduce RethinkMCTS, which employs the Monte Carlo Tree Search (MCTS) algorithm to conduct thought-level searches before generating code, thereby exploring a wider range of strategies. More importantly, we construct verbal feedback from fine-grained code execution feedback to refine erroneous thoughts during the search. This ensures that the search progresses along the correct reasoning paths, thus improving the overall search quality of the tree by leveraging execution feedback. Through extensive experiments, we demonstrate that RethinkMCTS outperforms previous search-based and feedback-based code generation baselines. On the HumanEval dataset, it improves the pass@1 of GPT-3.5-turbo from 70.12 to 89.02 and GPT-4o-mini from 87.20 to 94.51. It effectively conducts more thorough exploration through thought-level searches and enhances the search quality of the entire tree by incorporating rethink operation.

While 3D Gaussian Splatting has recently become popular for neural rendering, current methods rely on carefully engineered cloning and splitting strategies for placing Gaussians, which can lead to poor-quality renderings, and reliance on a good initialization. In this work, we rethink the set of 3D Gaussians as a random sample drawn from an underlying probability distribution describing the physical representation of the scene-in other words, Markov Chain Monte Carlo (MCMC) samples. Under this view, we show that the 3D Gaussian updates can be converted as Stochastic Gradient Langevin Dynamics (SGLD) updates by simply introducing noise. We then rewrite the densification and pruning strategies in 3D Gaussian Splatting as simply a deterministic state transition of MCMC samples, removing these heuristics from the framework. To do so, we revise the 'cloning' of Gaussians into a relocalization scheme that approximately preserves sample probability. To encourage efficient use of Gaussians, we introduce a regularizer that promotes the removal of unused Gaussians. On various standard evaluation scenes, we show that our method provides improved rendering quality, easy control over the number of Gaussians, and robustness to initialization.

Connecting optimal transport and variational inference, we present a principled and systematic framework for sampling and generative modelling centred around divergences on path space. Our work culminates in the development of the Controlled Monte Carlo Diffusion sampler (CMCD) for Bayesian computation, a score-based annealing technique that crucially adapts both forward and backward dynamics in a diffusion model. On the way, we clarify the relationship between the EM-algorithm and iterative proportional fitting (IPF) for Schr{\"o}dinger bridges, deriving as well a regularised objective that bypasses the iterative bottleneck of standard IPF-updates. Finally, we show that CMCD has a strong foundation in the Jarzinsky and Crooks identities from statistical physics, and that it convincingly outperforms competing approaches across a wide array of experiments.

We study the problem of approximate sampling from non-log-concave distributions, e.g., Gaussian mixtures, which is often challenging even in low dimensions due to their multimodality. We focus on performing this task via Markov chain Monte Carlo (MCMC) methods derived from discretizations of the overdamped Langevin diffusions, which are commonly known as Langevin Monte Carlo algorithms. Furthermore, we are also interested in two nonsmooth cases for which a large class of proximal MCMC methods have been developed: (i) a nonsmooth prior is considered with a Gaussian mixture likelihood; (ii) a Laplacian mixture distribution. Such nonsmooth and non-log-concave sampling tasks arise from a wide range of applications to Bayesian inference and imaging inverse problems such as image deconvolution. We perform numerical simulations to compare the performance of most commonly used Langevin Monte Carlo algorithms.

Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical Genetic Programming (GP) algorithms. Unlike their GP counterparts, these neural approaches are trained to generate expressions from datasets given as context. This allows them to produce accurate expressions in a single forward pass at test time. However, they usually do not benefit from search abilities, which result in low performance compared to GP on out-of-distribution datasets. In this paper, we propose a novel method which provides the best of both worlds, based on a Monte-Carlo Tree Search procedure using a context-aware neural mutation model, which is initially pre-trained to learn promising mutations, and further refined from successful experiences in an online fashion. The approach demonstrates state-of-the-art performance on the well-known SRBench benchmark.

This article considers the popular MCMC method of unadjusted Langevin Monte Carlo (LMC) and provides a non-asymptotic analysis of its sampling error in 2-Wasserstein distance. The proof is based on a refinement of mean-square analysis in Li et al. (2019), and this refined framework automates the analysis of a large class of sampling algorithms based on discretizations of contractive SDEs. Using this framework, we establish an O(d/epsilon) mixing time bound for LMC, without warm start, under the common log-smooth and log-strongly-convex conditions, plus a growth condition on the 3rd-order derivative of the potential of target measures. This bound improves the best previously known O(d/epsilon) result and is optimal (in terms of order) in both dimension d and accuracy tolerance epsilon for target measures satisfying the aforementioned assumptions. Our theoretical analysis is further validated by numerical experiments.

We formulate and solve the H-SARA Problem, a Vehicle Routing and Appointment Scheduling Problem motivated by home services management. We assume that travel times, service durations, and customer cancellations are stochastic. We use a two-stage process that first generates teams and routes using a VRP Solver with optional extensions and then uses an MC Scheduler that determines expected arrival times by teams at customers. We further introduce two different models of cancellation and their associated impacts on routing and scheduling. Finally, we introduce the Route Fracture Metaheuristic that iteratively improves an H-SARA solution by replacing the worst-performing teams. We present insights into the problem and a series of numerical experiments that illustrate properties of the optimal routing, scheduling, and the impact of the Route Fracture Metaheuristic for both models of cancellation.

Bayesian optimization provides sample-efficient global optimization for a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. We introduce BoTorch, a modern programming framework for Bayesian optimization that combines Monte-Carlo (MC) acquisition functions, a novel sample average approximation optimization approach, auto-differentiation, and variance reduction techniques. BoTorch's modular design facilitates flexible specification and optimization of probabilistic models written in PyTorch, simplifying implementation of new acquisition functions. Our approach is backed by novel theoretical convergence results and made practical by a distinctive algorithmic foundation that leverages fast predictive distributions, hardware acceleration, and deterministic optimization. We also propose a novel "one-shot" formulation of the Knowledge Gradient, enabled by a combination of our theoretical and software contributions. In experiments, we demonstrate the improved sample efficiency of BoTorch relative to other popular libraries.

A notion of quantum natural evolution strategies is introduced, which provides a geometric synthesis of a number of known quantum/classical algorithms for performing classical black-box optimization. Recent work of Gomes et al. [2019] on heuristic combinatorial optimization using neural quantum states is pedagogically reviewed in this context, emphasizing the connection with natural evolution strategies. The algorithmic framework is illustrated for approximate combinatorial optimization problems, and a systematic strategy is found for improving the approximation ratios. In particular it is found that natural evolution strategies can achieve approximation ratios competitive with widely used heuristic algorithms for Max-Cut, at the expense of increased computation time.