Daily Papers

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

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.

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.

Multi-modal multi-label emotion recognition (MMER) aims to identify relevant emotions from multiple modalities. The challenge of MMER is how to effectively capture discriminative features for multiple labels from heterogeneous data. Recent studies are mainly devoted to exploring various fusion strategies to integrate multi-modal information into a unified representation for all labels. However, such a learning scheme not only overlooks the specificity of each modality but also fails to capture individual discriminative features for different labels. Moreover, dependencies of labels and modalities cannot be effectively modeled. To address these issues, this paper presents ContrAstive feature Reconstruction and AggregaTion (CARAT) for the MMER task. Specifically, we devise a reconstruction-based fusion mechanism to better model fine-grained modality-to-label dependencies by contrastively learning modal-separated and label-specific features. To further exploit the modality complementarity, we introduce a shuffle-based aggregation strategy to enrich co-occurrence collaboration among labels. Experiments on two benchmark datasets CMU-MOSEI and M3ED demonstrate the effectiveness of CARAT over state-of-the-art methods. Code is available at https://github.com/chengzju/CARAT.

Music source separation demixes a piece of music into its individual sound sources (vocals, percussion, melodic instruments, etc.), a task with no simple mathematical solution. It requires deep learning methods involving training on large datasets of isolated music stems. The most commonly available datasets are made from commercial Western music, limiting the models' applications to non-Western genres like Carnatic music. Carnatic music is a live tradition, with the available multi-track recordings containing overlapping sounds and bleeds between the sources. This poses a challenge to commercially available source separation models like Spleeter and Hybrid Demucs. In this work, we introduce 'Sanidha', the first open-source novel dataset for Carnatic music, offering studio-quality, multi-track recordings with minimal to no overlap or bleed. Along with the audio files, we provide high-definition videos of the artists' performances. Additionally, we fine-tuned Spleeter, one of the most commonly used source separation models, on our dataset and observed improved SDR performance compared to fine-tuning on a pre-existing Carnatic multi-track dataset. The outputs of the fine-tuned model with 'Sanidha' are evaluated through a listening study.

In autonomous driving, traditional Computer Vision (CV) agents often struggle in unfamiliar situations due to biases in the training data. Deep Reinforcement Learning (DRL) agents address this by learning from experience and maximizing rewards, which helps them adapt to dynamic environments. However, ensuring their generalization remains challenging, especially with static training environments. Additionally, DRL models lack transparency, making it difficult to guarantee safety in all scenarios, particularly those not seen during training. To tackle these issues, we propose a method that combines DRL with Curriculum Learning for autonomous driving. Our approach uses a Proximal Policy Optimization (PPO) agent and a Variational Autoencoder (VAE) to learn safe driving in the CARLA simulator. The agent is trained using two-fold curriculum learning, progressively increasing environment difficulty and incorporating a collision penalty in the reward function to promote safety. This method improves the agent's adaptability and reliability in complex environments, and understand the nuances of balancing multiple reward components from different feedback signals in a single scalar reward function. Keywords: Computer Vision, Deep Reinforcement Learning, Variational Autoencoder, Proximal Policy Optimization, Curriculum Learning, Autonomous Driving.

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.

We introduce calamanCy, an open-source toolkit for constructing natural language processing (NLP) pipelines for Tagalog. It is built on top of spaCy, enabling easy experimentation and integration with other frameworks. calamanCy addresses the development gap by providing a consistent API for building NLP applications and offering general-purpose multitask models with out-of-the-box support for dependency parsing, parts-of-speech (POS) tagging, and named entity recognition (NER). calamanCy aims to accelerate the progress of Tagalog NLP by consolidating disjointed resources in a unified framework. The calamanCy toolkit is available on GitHub: https://github.com/ljvmiranda921/calamanCy.

Autonomous systems (AS) are systems that can adapt and change their behavior in response to unanticipated events and include systems such as aerial drones, autonomous vehicles, and ground/aquatic robots. AS require a wide array of sensors, deep-learning models, and powerful hardware platforms to perceive and safely operate in real-time. However, in many contexts, some sensing modalities negatively impact perception while increasing the system's overall energy consumption. Since AS are often energy-constrained edge devices, energy-efficient sensor fusion methods have been proposed. However, existing methods either fail to adapt to changing scenario conditions or to optimize energy efficiency system-wide. We propose CARMA: a context-aware sensor fusion approach that uses context to dynamically reconfigure the computation flow on a Field-Programmable Gate Array (FPGA) at runtime. By clock-gating unused sensors and model sub-components, CARMA significantly reduces the energy used by a multi-sensory object detector without compromising performance. We use a Deep-learning Processor Unit (DPU) based reconfiguration approach to minimize the latency of model reconfiguration. We evaluate multiple context-identification strategies, propose a novel system-wide energy-performance joint optimization, and evaluate scenario-specific perception performance. Across challenging real-world sensing contexts, CARMA outperforms state-of-the-art methods with up to 1.3x speedup and 73% lower energy consumption.

A homogeneous roof is a rational homogeneous variety of Picard rank 2 and index r equipped with two different mathbb P^{r-1}-bundle structures. We consider bundles of homogeneous roofs over a smooth projective variety, formulating a relative version of the duality of Calabi--Yau pairs associated to roofs of projective bundles. We discuss how derived equivalence of such pairs can lift to Calabi--Yau fibrations, extending a result of Bridgeland and Maciocia to higher-dimensional cases. We formulate an approach to prove that the DK-conjecture holds for a class of simple K-equivalent maps arising from bundles of roofs. As an example, we propose a pair of eight-dimensional Calabi--Yau varieties fibered in dual Calabi--Yau threefolds, related by a GLSM phase transition, and we prove derived equivalence with the methods above.

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.

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.

For any given dimension d, all reflexive d-polytopes can be found (in principle) as subpolytopes of a number of maximal polyhedra that are defined in terms of (d+1)-tuples of integers (weights), or combinations of k-tuples of weights with k<d+1. We present the results of a complete classification of sextuples of weights pertaining to the construction of all reflexive polytopes in five dimensions. We find 322 383 760 930 such weight systems. 185 269 499 015 of them give rise directly to reflexive polytopes and thereby to mirror pairs of Calabi-Yau fourfolds. These lead to 532 600 483 distinct sets of Hodge numbers.

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.

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.

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.

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.

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 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.

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 .

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).

We construct a gauged linear sigma model with two non-birational K\"alher phases which we prove to be derived equivalent, L-equivalent, deformation equivalent and Hodge equivalent. This provides a new counterexample to the birational Torelli problem which admits a simple GLSM interpretation.

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.

Gender-fair language aims at promoting gender equality by using terms and expressions that include all identities and avoid reinforcing gender stereotypes. Implementing gender-fair strategies is particularly challenging in heavily gender-marked languages, such as Italian. To address this, the Gender-Fair Generation challenge intends to help shift toward gender-fair language in written communication. The challenge, designed to assess and monitor the recognition and generation of gender-fair language in both mono- and cross-lingual scenarios, includes three tasks: (1) the detection of gendered expressions in Italian sentences, (2) the reformulation of gendered expressions into gender-fair alternatives, and (3) the generation of gender-fair language in automatic translation from English to Italian. The challenge relies on three different annotated datasets: the GFL-it corpus, which contains Italian texts extracted from administrative documents provided by the University of Brescia; GeNTE, a bilingual test set for gender-neutral rewriting and translation built upon a subset of the Europarl dataset; and Neo-GATE, a bilingual test set designed to assess the use of non-binary neomorphemes in Italian for both fair formulation and translation tasks. Finally, each task is evaluated with specific metrics: average of F1-score obtained by means of BERTScore computed on each entry of the datasets for task 1, an accuracy measured with a gender-neutral classifier, and a coverage-weighted accuracy for tasks 2 and 3.

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.

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.

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.

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.

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.

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.

We propose a general theory of the Open Gromov-Witten invariant on Calabi-Yau three-folds. We introduce the moduli space of multi-curves and show how it leads to invariants. Our construction is based on an idea of Witten. In the special case that each connected component of the Lagrangian submanifold has the rational homology of a sphere we define rational numbers F_{g,h} for each genus g and h boundary components.

In this work, we aim to develop an MLLM that understands and solves questions by learning to create each intermediate step of the reasoning involved till the final answer. To this end, we propose Collective Monte Carlo Tree Search (CoMCTS), a new learning-to-reason method for MLLMs, which introduces the concept of collective learning into ``tree search'' for effective and efficient reasoning-path searching and learning. The core idea of CoMCTS is to leverage collective knowledge from multiple models to collaboratively conjecture, search and identify effective reasoning paths toward correct answers via four iterative operations including Expansion, Simulation and Error Positioning, Backpropagation, and Selection. Using CoMCTS, we construct Mulberry-260k, a multimodal dataset with a tree of rich, explicit and well-defined reasoning nodes for each question. With Mulberry-260k, we perform collective SFT to train our model, Mulberry, a series of MLLMs with o1-like step-by-step Reasoning and Reflection capabilities. Extensive experiments demonstrate the superiority of our proposed methods on various benchmarks. Code will be available at https://github.com/HJYao00/Mulberry

We introduce MCTS-RAG, a novel approach that enhances the reasoning capabilities of small language models on knowledge-intensive tasks by leveraging retrieval-augmented generation (RAG) to provide relevant context and Monte Carlo Tree Search (MCTS) to refine reasoning paths. MCTS-RAG dynamically integrates retrieval and reasoning through an iterative decision-making process. Unlike standard RAG methods, which typically retrieve information independently from reasoning and thus integrate knowledge suboptimally, or conventional MCTS reasoning, which depends solely on internal model knowledge without external facts, MCTS-RAG combines structured reasoning with adaptive retrieval. This integrated approach enhances decision-making, reduces hallucinations, and ensures improved factual accuracy and response consistency. The experimental results on multiple reasoning and knowledge-intensive datasets datasets (i.e., ComplexWebQA, GPQA, and FoolMeTwice) show that our method enables small-scale LMs to achieve performance comparable to frontier LLMs like GPT-4o by effectively scaling inference-time compute, setting a new standard for reasoning in small-scale models.

Large language models demonstrate exceptional performance in simple code generation tasks but still face challenges in tackling complex problems. These challenges may stem from insufficient reasoning and problem decomposition capabilities. To address this issue, we propose a reasoning-augmented data generation process, SRA-MCTS, which guides the model to autonomously generate high-quality intermediate reasoning paths. This creates a positive feedback loop, enabling continuous improvement. Our method operates entirely through the model itself without requiring additional supervision. By synthesizing natural language reasoning paths and translating them into executable code, the approach ensures analytical accuracy and enhances the success rate in solving complex tasks. Experimental results show that, even without additional supervisory signals, our method achieves performance improvements across different model scales, demonstrating the significant potential of self-improvement in small models. Furthermore, the method remains robust when traditional Chain-of-Thought (CoT) approaches exhibit performance degradation, with notable improvements observed in diversity metrics such as pass@10. We encourage further exploration of reasoning processes within training data to enhance the ability of language models to address complex problems. Our code and data are public at https://github.com/DIRECT-BIT/SRA-MCTS.

This study developed a novel method for detecting hypernuclear events recorded in nuclear emulsion sheets using machine learning techniques. The artificial neural network-based object detection model was trained on surrogate images created through Monte Carlo simulations and image-style transformations using generative adversarial networks. The performance of the proposed model was evaluated using alpha-decay events obtained from the J-PARC E07 emulsion data. The model achieved approximately twice the detection efficiency of conventional image processing and reduced the time spent on manual visual inspection by approximately 1/17. The established method was successfully applied to the detection of hypernuclear events. This approach is a state-of-the-art tool for discovering rare events recorded in nuclear emulsion sheets without any real data for training.

Diffusion models may be formulated as a time-indexed sequence of energy-based models, where the score corresponds to the negative gradient of an energy function. As opposed to learning the score directly, an energy parameterization is attractive as the energy itself can be used to control generation via Monte Carlo samplers. Architectural constraints and training instability in energy parameterized models have so far yielded inferior performance compared to directly approximating the score or denoiser. We address these deficiencies by introducing a novel training regime for the energy function through distillation of pre-trained diffusion models, resembling a Helmholtz decomposition of the score vector field. We further showcase the synergies between energy and score by casting the diffusion sampling procedure as a Feynman Kac model where sampling is controlled using potentials from the learnt energy functions. The Feynman Kac model formalism enables composition and low temperature sampling through sequential Monte Carlo.

We present a scalable and effective exploration strategy based on Thompson sampling for reinforcement learning (RL). One of the key shortcomings of existing Thompson sampling algorithms is the need to perform a Gaussian approximation of the posterior distribution, which is not a good surrogate in most practical settings. We instead directly sample the Q function from its posterior distribution, by using Langevin Monte Carlo, an efficient type of Markov Chain Monte Carlo (MCMC) method. Our method only needs to perform noisy gradient descent updates to learn the exact posterior distribution of the Q function, which makes our approach easy to deploy in deep RL. We provide a rigorous theoretical analysis for the proposed method and demonstrate that, in the linear Markov decision process (linear MDP) setting, it has a regret bound of O(d^{3/2}H^{3/2}T), where d is the dimension of the feature mapping, H is the planning horizon, and T is the total number of steps. We apply this approach to deep RL, by using Adam optimizer to perform gradient updates. Our approach achieves better or similar results compared with state-of-the-art deep RL algorithms on several challenging exploration tasks from the Atari57 suite.

We produce counterexamples to the birational Torelli theorem for Calabi-Yau manifolds in arbitrarily high dimension: this is done by exhibiting a series of non birational pairs of Calabi-Yau (n^2-1)-folds which, for n geq 2 even, admit an isometry between their middle cohomologies. These varieties also satisfy an mathbb L-equivalence relation in the Grothendieck ring of varieties, i.e. the difference of their classes annihilates a power of the class of the affine line. We state this last property for a broader class of Calabi-Yau pairs, namely all those which are realized as pushforwards of a general (1,1)-section on a homogeneous roof in the sense of Kanemitsu, along its two extremal contractions.

The detection of sensitive content in large datasets is crucial for ensuring that shared and analysed data is free from harmful material. However, current moderation tools, such as external APIs, suffer from limitations in customisation, accuracy across diverse sensitive categories, and privacy concerns. Additionally, existing datasets and open-source models focus predominantly on toxic language, leaving gaps in detecting other sensitive categories such as substance abuse or self-harm. In this paper, we put forward a unified dataset tailored for social media content moderation across six sensitive categories: conflictual language, profanity, sexually explicit material, drug-related content, self-harm, and spam. By collecting and annotating data with consistent retrieval strategies and guidelines, we address the shortcomings of previous focalised research. Our analysis demonstrates that fine-tuning large language models (LLMs) on this novel dataset yields significant improvements in detection performance compared to open off-the-shelf models such as LLaMA, and even proprietary OpenAI models, which underperform by 10-15% overall. This limitation is even more pronounced on popular moderation APIs, which cannot be easily tailored to specific sensitive content categories, among others.

In this paper, we introduce a novel predict-and-optimize method for profit-driven churn prevention. We frame the task of targeting customers for a retention campaign as a regret minimization problem. The main objective is to leverage individual customer lifetime values (CLVs) to ensure that only the most valuable customers are targeted. In contrast, many profit-driven strategies focus on churn probabilities while considering average CLVs. This often results in significant information loss due to data aggregation. Our proposed model aligns with the guidelines of Predict-and-Optimize (PnO) frameworks and can be efficiently solved using stochastic gradient descent methods. Results from 12 churn prediction datasets underscore the effectiveness of our approach, which achieves the best average performance compared to other well-established strategies in terms of average profit.

Understanding the origin(s) of life (OoL) is a fundamental challenge for science in the 21st century. Research on OoL spans many disciplines, including chemistry, physics, biology, planetary sciences, computer science, mathematics and philosophy. The sheer number of different scientific perspectives relevant to the problem has resulted in the coexistence of diverse tools, techniques, data, and software in OoL studies. This has made communication between the disciplines relevant to the OoL extremely difficult because the interpretation of data, analyses, or standards of evidence can vary dramatically. Here, we hope to bridge this wide field of study by providing common ground via the consolidation of tools and techniques rather than positing a unifying view on how life emerges. We review the common tools and techniques that have been used significantly in OoL studies in recent years. In particular, we aim to identify which information is most relevant for comparing and integrating the results of experimental analyses into mathematical and computational models. This review aims to provide a baseline expectation and understanding of technical aspects of origins research, rather than being a primer on any particular topic. As such, it spans broadly -- from analytical chemistry to mathematical models -- and highlights areas of future work that will benefit from a multidisciplinary approach to tackling the mystery of life's origin. Ultimately, we hope to empower a new generation of OoL scientists by reviewing how they can investigate life's origin, rather than dictating how to think about the problem.

We propose UTSP, an unsupervised learning (UL) framework for solving the Travelling Salesman Problem (TSP). We train a Graph Neural Network (GNN) using a surrogate loss. The GNN outputs a heat map representing the probability for each edge to be part of the optimal path. We then apply local search to generate our final prediction based on the heat map. Our loss function consists of two parts: one pushes the model to find the shortest path and the other serves as a surrogate for the constraint that the route should form a Hamiltonian Cycle. Experimental results show that UTSP outperforms the existing data-driven TSP heuristics. Our approach is parameter efficient as well as data efficient: the model takes sim 10\% of the number of parameters and sim 0.2\% of training samples compared with reinforcement learning or supervised learning methods.

In this work, we focus on a fractional differential equation in Riesz form discretized by a polynomial B-spline collocation method. For an arbitrary polynomial degree p, we show that the resulting coefficient matrices possess a Toeplitz-like structure. We investigate their spectral properties via their symbol and we prove that, like for second order differential problems, also in this case the given matrices are ill-conditioned both in the low and high frequencies for large p. More precisely, in the fractional scenario the symbol has a single zero at 0 of order α, with α the fractional derivative order that ranges from 1 to 2, and it presents an exponential decay to zero at π for increasing p that becomes faster as α approaches 1. This translates in a mitigated conditioning in the low frequencies and in a deterioration in the high frequencies when compared to second order problems. Furthermore, the derivation of the symbol reveals another similarity of our problem with a classical diffusion problem. Since the entries of the coefficient matrices are defined as evaluations of fractional derivatives of the B-spline basis at the collocation points, we are able to express the central entries of the coefficient matrix as inner products of two fractional derivatives of cardinal B-splines. Finally, we perform a numerical study of the approximation behavior of polynomial B-spline collocation. This study suggests that, in line with non-fractional diffusion problems, the approximation order for smooth solutions in the fractional case is p+2-α for even p, and p+1-α for odd p.

Large language models (LLMs) currently dominate the field of natural language processing (NLP), representing the state-of-the-art across a diverse array of tasks. Developing a model of this nature, from training to inference, requires making numerous decisions which define a combinatorial search problem. For example, selecting the optimal pre-trained LLM, prompt, or hyperparameters to attain the best performance for a task often requires evaluating multiple candidates on an entire test set. This exhaustive evaluation can be time-consuming and costly, as both inference and metric computation with LLMs are resource-intensive. In this paper, we address the challenge of identifying the best method within a limited budget for evaluating methods on test examples. By leveraging the well-studied multi-armed bandit framework, which sequentially selects the next method-example pair to evaluate, our approach, combining multi-armed bandit algorithms with low-rank factorization, significantly reduces the required resources. Experiments show that our algorithms can identify the top-performing method using only 5-15\% of the typically needed resources, resulting in an 85-95\% reduction in cost.

High-quality benchmarks are essential for evaluating reasoning and retrieval capabilities of large language models (LLMs). However, curating datasets for this purpose is not a permanent solution as they are prone to data leakage and inflated performance results. To address these challenges, we propose PhantomWiki: a pipeline to generate unique, factually consistent document corpora with diverse question-answer pairs. Unlike prior work, PhantomWiki is neither a fixed dataset, nor is it based on any existing data. Instead, a new PhantomWiki instance is generated on demand for each evaluation. We vary the question difficulty and corpus size to disentangle reasoning and retrieval capabilities respectively, and find that PhantomWiki datasets are surprisingly challenging for frontier LLMs. Thus, we contribute a scalable and data leakage-resistant framework for disentangled evaluation of reasoning, retrieval, and tool-use abilities. Our code is available at https://github.com/kilian-group/phantom-wiki.

Along with binary neutron star mergers, the in-spiral and merger of a black hole and a neutron star is a predicted site of r-process nucleosynthesis and associated kilonovae. For the right mass ratio, very large amounts of neutron rich material may become unbound from the post-merger accretion disk. We simulate a suite of four post-merger disks with full-transport general relativistic neutrino radiation magnetohydrodynamics. We find that the outflows from these disks are very close to the threshold conditions for robust r-process nucleosynthesis. For these conditions, the detailed properties of the outflow determine whether a full r-process can or cannot occur, implying that a wide range of observable phenomena are possible. We show that on average the disk outflow lanthanide fraction is suppressed relative to the solar isotopic pattern. In combination with the dynamical ejecta, these outflows imply a kilonova with both blue and red components.

The enormous scale of state-of-the-art foundation models has limited their accessibility to scientists, because customized experiments at large model sizes require costly hardware and complex engineering that is impractical for most researchers. To alleviate these problems, we introduce NNsight, an open-source Python package with a simple, flexible API that can express interventions on any PyTorch model by building computation graphs. We also introduce NDIF, a collaborative research platform providing researchers access to foundation-scale LLMs via the NNsight API. Code, documentation, and tutorials are available at https://www.nnsight.net.

WeatherBench 2 is an update to the global, medium-range (1-14 day) weather forecasting benchmark proposed by Rasp et al. (2020), designed with the aim to accelerate progress in data-driven weather modeling. WeatherBench 2 consists of an open-source evaluation framework, publicly available training, ground truth and baseline data as well as a continuously updated website with the latest metrics and state-of-the-art models: https://sites.research.google/weatherbench. This paper describes the design principles of the evaluation framework and presents results for current state-of-the-art physical and data-driven weather models. The metrics are based on established practices for evaluating weather forecasts at leading operational weather centers. We define a set of headline scores to provide an overview of model performance. In addition, we also discuss caveats in the current evaluation setup and challenges for the future of data-driven weather forecasting.

Large language models (LLMs) often lack culture-specific knowledge of daily life, especially across diverse regions and non-English languages. Existing benchmarks for evaluating LLMs' cultural sensitivities are limited to a single language or collected from online sources such as Wikipedia, which do not reflect the mundane everyday lifestyles of diverse regions. That is, information about the food people eat for their birthday celebrations, spices they typically use, musical instruments youngsters play, or the sports they practice in school is common cultural knowledge but uncommon in easily collected online sources, especially for underrepresented cultures. To address this issue, we introduce BLEnD, a hand-crafted benchmark designed to evaluate LLMs' everyday knowledge across diverse cultures and languages. BLEnD comprises 52.6k question-answer pairs from 16 countries/regions, in 13 different languages, including low-resource ones such as Amharic, Assamese, Azerbaijani, Hausa, and Sundanese. We construct the benchmark to include two formats of questions: short-answer and multiple-choice. We show that LLMs perform better for cultures that are highly represented online, with a maximum 57.34% difference in GPT-4, the best-performing model, in the short-answer format. For cultures represented by mid-to-high-resource languages, LLMs perform better in their local languages, but for cultures represented by low-resource languages, LLMs perform better in English than the local languages. We make our dataset publicly available at: https://github.com/nlee0212/BLEnD.

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on closed-ended questions prone to saturation and memorization, or subjective comparisons that lack consistency and rigor. In this work, we introduce HeuriGym, an agentic framework designed for evaluating heuristic algorithms generated by LLMs for combinatorial optimization problems, characterized by clearly defined objectives and expansive solution spaces. HeuriGym empowers LLMs to propose heuristics, receive evaluative feedback via code execution, and iteratively refine their solutions. We evaluate nine state-of-the-art models on nine problems across domains such as computer systems, logistics, and biology, exposing persistent limitations in tool use, planning, and adaptive reasoning. To quantify performance, we propose the Quality-Yield Index (QYI), a metric that captures both solution pass rate and quality. Even top models like GPT-o4-mini-high and Gemini-2.5-Pro attain QYI scores of only 0.6, well below the expert baseline of 1. Our open-source benchmark aims to guide the development of LLMs toward more effective and realistic problem-solving in scientific and engineering domains.

Scientific reasoning, the process through which humans apply logic, evidence, and critical thinking to explore and interpret scientific phenomena, is essential in advancing knowledge reasoning across diverse fields. However, despite significant progress, current scientific reasoning models still struggle with generalization across domains and often fall short of multimodal perception. Multimodal Large Language Models (MLLMs), which integrate text, images, and other modalities, present an exciting opportunity to overcome these limitations and enhance scientific reasoning. Therefore, this position paper argues that MLLMs can significantly advance scientific reasoning across disciplines such as mathematics, physics, chemistry, and biology. First, we propose a four-stage research roadmap of scientific reasoning capabilities, and highlight the current state of MLLM applications in scientific reasoning, noting their ability to integrate and reason over diverse data types. Second, we summarize the key challenges that remain obstacles to achieving MLLM's full potential. To address these challenges, we propose actionable insights and suggestions for the future. Overall, our work offers a novel perspective on MLLM integration with scientific reasoning, providing the LLM community with a valuable vision for achieving Artificial General Intelligence (AGI).

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

In this report, we introduce the Gemini 2.X model family: Gemini 2.5 Pro and Gemini 2.5 Flash, as well as our earlier Gemini 2.0 Flash and Flash-Lite models. Gemini 2.5 Pro is our most capable model yet, achieving SoTA performance on frontier coding and reasoning benchmarks. In addition to its incredible coding and reasoning skills, Gemini 2.5 Pro is a thinking model that excels at multimodal understanding and it is now able to process up to 3 hours of video content. Its unique combination of long context, multimodal and reasoning capabilities can be combined to unlock new agentic workflows. Gemini 2.5 Flash provides excellent reasoning abilities at a fraction of the compute and latency requirements and Gemini 2.0 Flash and Flash-Lite provide high performance at low latency and cost. Taken together, the Gemini 2.X model generation spans the full Pareto frontier of model capability vs cost, allowing users to explore the boundaries of what is possible with complex agentic problem solving.

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.