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Jul 16

Parallel Bayesian Optimization of Multiple Noisy Objectives with Expected Hypervolume Improvement

Optimizing multiple competing black-box objectives is a challenging problem in many fields, including science, engineering, and machine learning. Multi-objective Bayesian optimization (MOBO) is a sample-efficient approach for identifying the optimal trade-offs between the objectives. However, many existing methods perform poorly when the observations are corrupted by noise. We propose a novel acquisition function, NEHVI, that overcomes this important practical limitation by applying a Bayesian treatment to the popular expected hypervolume improvement (EHVI) criterion and integrating over this uncertainty in the Pareto frontier. We argue that, even in the noiseless setting, generating multiple candidates in parallel is an incarnation of EHVI with uncertainty in the Pareto frontier and therefore can be addressed using the same underlying technique. Through this lens, we derive a natural parallel variant, qNEHVI, that reduces computational complexity of parallel EHVI from exponential to polynomial with respect to the batch size. qNEHVI is one-step Bayes-optimal for hypervolume maximization in both noisy and noiseless environments, and we show that it can be optimized effectively with gradient-based methods via sample average approximation. Empirically, we demonstrate not only that qNEHVI is substantially more robust to observation noise than existing MOBO approaches, but also that it achieves state-of-the-art optimization performance and competitive wall-times in large-batch environments.

  • 3 authors
·
Oct 25, 2021

CCS: Clinical Consensus Selection for Radiology Report Generation

Radiology report generation (RRG) is commonly formulated as a single-path generation task, where a multimodal large language model (MLLM) produces one decoded report as the final output. While recent progress has largely been driven by scaling training data, model capacity, and retrieval mechanisms, improving report quality at inference time remains underexplored. In this work, we observe that fixed radiology MLLMs often generate clinically stronger reports elsewhere in their candidate pool than the one selected by default decoding, suggesting that inference-time decision making remains an overlooked bottleneck. To address this, we propose Clinical Consensus Selection (CCS), a decoder-agnostic inference-time selection framework that samples multiple candidate reports and selects the one with the highest clinical consensus across the rollout pool. CCS unifies text-based utilities with a radiology-adapted utility computed by an image--report-trained multimodal embedder, which measures candidate agreement beyond surface-level textual similarity. Across three datasets and multiple radiology MLLMs, CCS consistently improves inference-time performance over single-path decoding and generic Best-of-N baselines, with particularly clear gains on clinical metrics. Further analysis shows that image-grounded utility forms a selection axis distinct from textual consensus and that substantial headroom remains for improving RRG at inference time.

  • 5 authors
·
May 27

Parallel Decoding via Hidden Transfer for Lossless Large Language Model Acceleration

Large language models (LLMs) have recently shown remarkable performance across a wide range of tasks. However, the substantial number of parameters in LLMs contributes to significant latency during model inference. This is particularly evident when utilizing autoregressive decoding methods, which generate one token in a single forward process, thereby not fully capitalizing on the parallel computing capabilities of GPUs. In this paper, we propose a novel parallel decoding approach, namely hidden transfer, which decodes multiple successive tokens simultaneously in a single forward pass. The idea is to transfer the intermediate hidden states of the previous context to the pseudo hidden states of the future tokens to be generated, and then the pseudo hidden states will pass the following transformer layers thereby assimilating more semantic information and achieving superior predictive accuracy of the future tokens. Besides, we use the novel tree attention mechanism to simultaneously generate and verify multiple candidates of output sequences, which ensure the lossless generation and further improves the generation efficiency of our method. Experiments demonstrate the effectiveness of our method. We conduct a lot of analytic experiments to prove our motivation. In terms of acceleration metrics, we outperform all the single-model acceleration techniques, including Medusa and Self-Speculative decoding.

  • 8 authors
·
Apr 18, 2024 2

Verifier-free Test-Time Sampling for Vision Language Action Models

Vision-Language-Action models (VLAs) have demonstrated remarkable performance in robot control. However, they remain fundamentally limited in tasks that require high precision due to their single-inference paradigm. While test-time scaling approaches using external verifiers have shown promise, they require additional training and fail to generalize to unseen conditions. We propose Masking Distribution Guided Selection (MG-Select), a novel test-time scaling framework for VLAs that leverages the model's internal properties without requiring additional training or external modules. Our approach utilizes KL divergence from a reference action token distribution as a confidence metric for selecting the optimal action from multiple candidates. We introduce a reference distribution generated by the same VLA but with randomly masked states and language conditions as inputs, ensuring maximum uncertainty while remaining aligned with the target task distribution. Additionally, we propose a joint training strategy that enables the model to learn both conditional and unconditional distributions by applying dropout to state and language conditions, thereby further improving the quality of the reference distribution. Our experiments demonstrate that MG-Select achieves significant performance improvements, including a 28%/35% improvement in real-world in-distribution/out-of-distribution tasks, along with a 168% relative gain on RoboCasa pick-and-place tasks trained with 30 demonstrations.

kaist-ai KAIST AI
·
Oct 7, 2025 3

Robust Preference Alignment via Directional Neighborhood Consensus

Aligning large language models with human preferences is critical for creating reliable and controllable AI systems. A human preference can be visualized as a high-dimensional vector where different directions represent trade-offs between desired attributes (e.g., helpfulness vs. verbosity). Yet, because the training data often reflects dominant, average preferences, LLMs tend to perform well on common requests but fall short in specific, individual needs. This mismatch creates a preference coverage gap. Existing methods often address this through costly retraining, which may not be generalized to the full spectrum of diverse preferences. This brittleness means that when a user's request reflects a nuanced preference deviating from the training data's central tendency, model performance can degrade unpredictably. To address this challenge, we introduce Robust Preference Selection (RPS), a post-hoc, training-free method by leveraging directional neighborhood consensus. Instead of forcing a model to generate a response from a single, highly specific preference, RPS samples multiple responses from a local neighborhood of related preferences to create a superior candidate pool. It then selects the response that best aligns with the user's original intent. We provide a theoretical framework showing our neighborhood generation strategy is provably superior to a strong baseline that also samples multiple candidates. Comprehensive experiments across three distinct alignment paradigms (DPA, DPO, and SFT) demonstrate that RPS consistently improves robustness against this baseline, achieving win rates of up to 69% on challenging preferences from under-represented regions of the space without any model retraining. Our work presents a practical, theoretically-grounded solution for enhancing the reliability of preference-aligned models.

  • 4 authors
·
Oct 23, 2025

ProCompNav: Proactive Instance Navigation with Comparative Judgment for Ambiguous User Queries

Natural-language instance navigation becomes challenging when the initial user request does not uniquely specify the target instance. A practical agent should reduce the user's burden by actively asking only the information needed to distinguish the target from similar distractors, rather than requiring a detailed description upfront. Existing approaches often fall short of this goal: they may stop at the first plausible candidate before sufficiently exploring alternatives, or, even after collecting multiple candidates, ask about the target's attributes derived from individual candidates rather than questions selected to distinguish candidates in the pool. As a result, despite the dialogue, the agent may still fail to distinguish the target from distractors, leading to premature decisions and lengthy user responses. We propose Proactive Instance Navigation with Comparative Judgment (ProCompNav), a two-stage framework that first constructs a candidate pool and then identifies the target through comparative judgment. At each round, ProCompNav extracts an attribute-value pair that splits the current pool, asks a binary yes/no question, and prunes all inconsistent candidates at once. This reframes disambiguation from open-ended target description to pool-level discriminative questioning, where each question is chosen to narrow the candidate set. On CoIN-Bench, ProCompNav improves Success Rate over interactive baselines with the same minimal input and non-interactive baselines with detailed descriptions, while substantially reducing Response Length. ProCompNav also achieves state-of-the-art Success Rate on TextNav, suggesting that comparative judgment is broadly useful for instance-level navigation among similar distractors. Code is available at https://github.com/tree-jhk/procompnav.

  • 5 authors
·
May 14

DesignSense: A Human Preference Dataset and Reward Modeling Framework for Graphic Layout Generation

Graphic layouts serve as an important and engaging medium for visual communication across different channels. While recent layout generation models have demonstrated impressive capabilities, they frequently fail to align with nuanced human aesthetic judgment. Existing preference datasets and reward models trained on text-to-image generation do not generalize to layout evaluation, where the spatial arrangement of identical elements determines quality. To address this critical gap, we introduce DesignSense-10k, a large-scale dataset of 10,235 human-annotated preference pairs for graphic layout evaluation. We propose a five-stage curation pipeline that generates visually coherent layout transformations across diverse aspect ratios, using semantic grouping, layout prediction, filtering, clustering, and VLM-based refinement to produce high-quality comparison pairs. Human preferences are annotated using a 4-class scheme (left, right, both good, both bad) to capture subjective ambiguity. Leveraging this dataset, we train DesignSense, a vision-language model-based classifier that substantially outperforms existing open-source and proprietary models across comprehensive evaluation metrics (54.6% improvement in Macro F1 over the strongest proprietary baseline). Our analysis shows that frontier VLMs remain unreliable overall and fail catastrophically on the full four-class task, underscoring the need for specialized, preference-aware models. Beyond the dataset, our reward model DesignSense yields tangible downstream gains in layout generation. Using our judge during RL based training improves generator win rate by about 3%, while inference-time scaling, which involves generating multiple candidates and selecting the best one, provides a 3.6% improvement. These results highlight the practical impact of specialized, layout-aware preference modeling on real-world layout generation quality.

  • 9 authors
·
Feb 25

ConAIR:Consistency-Augmented Iterative Interaction Framework to Enhance the Reliability of Code Generation

Code generation techniques generate code snippets automatically based on the problem requirements in natural language. Recently, large language models (LLMs) achieve the SOTA performance on code generation. However, LLMs still struggle at times to generate accurate code, which diminishes their promised efficiency as developers must spend significant effort evaluating and debugging the generated code. To improve the reliability and quality of the generated codes, researchers propose to leverage Consistency to obtain a better code based on generating and ranking multiple candidates. The existing approach is problematic as Consistency thinks a code is better when (1) the code pass more tests (inter-consistency) (2) more codes share the same behavior (intra-consistency). However, because the tests are also generated by LLMs, they could be wrong as well. As a result, majority voting based on testing results is unreliable. Relying solely on consistency is insufficient to address this issue; integrating user feedback is essential for effectively guiding consistency. We show that with minimal human effort, performance can be significantly enhanced. We propose Consistency-Augmented Iterative Interaction Framework to Enhance the Reliability of Code Generation, ConAIR, which is an approach that aims to improve the performance of a code generator through two distinctive ingredients, i.e., (1) lightweight user effort for validating the correctness of selected tests; and (2) a dynamic strategy for ranking, localizing and correcting multiple tests and codes. Overall, we propose a lightweight interaction framework that incorporates user feedback to correct identified tests and guide the iterative process. The iteration rounds are only 4 in average with the help of consistency. With only lightweight human efforts, we can achieve an improvement of 33% towards the base model.

  • 5 authors
·
Nov 23, 2024

Look Before You Leap: Distilling Tree Search into Action Evaluation for Frozen VLA Models

Vision-Language-Action (VLA) models acquire broad embodied capabilities through large-scale pretraining, yet their generalization remains far more fragile than that of LLMs and VLMs. The prevailing remedy, post-training via supervised fine-tuning or reinforcement learning, improves task-specific performance but narrows the generalist capability that makes pretraining valuable. We identify a key bottleneck: VLA failures stem not only from action generation but also from action evaluation. A diagnostic pass@k study confirms that frozen VLAs already contain competent behaviors in their output distribution, with overall success rates rising from 33% at pass@1 to 92% at pass@32. Inspired by this, we propose SVA (Search, Value, and Act), a simple framework that equips frozen VLA policies with long-term consequence awareness. SVA first uses Monte-Carlo tree search in simulation to fully explore the VLA's output distribution and collect diverse trajectories annotated with empirical returns; this knowledge is then distilled into a lightweight Q-value model that predicts the expected consequence of candidate actions; at deployment, the frozen VLA proposes multiple candidates and the evaluator selects the one with the highest uncertainty-regularized Q-value, requiring no simulator access. By decoupling action proposal from consequence evaluation, SVA preserves the generalization capacity of the VLA backbone while substantially improving task success rates. Experiments across embodied benchmarks show that SVA consistently improves generalization on unseen tasks and exhibits strong test-time scaling behavior. Strikingly, SVA enables a 9B VLA to outperform a 27B VLA by 7 points at 27% lower inference latency, suggesting that scaling test-time evaluation is more cost-effective than scaling model size.

Scaling Gaussian Process Optimization by Evaluating a Few Unique Candidates Multiple Times

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

  • 5 authors
·
Jan 30, 2022

Deep Researcher with Sequential Plan Reflection and Candidates Crossover (Deep Researcher Reflect Evolve)

This paper introduces a novel Deep Researcher architecture designed to generate detailed research reports on complex PhD level topics by addressing the inherent limitations of the Parallel Scaling paradigm. Our system utilizes two key innovations: Sequential Research Plan Refinement via Reflection and a Candidates Crossover algorithm. The sequential refinement process is demonstrated as an efficient method that allows the agent to maintain a centralized Global Research Context, enabling it to look back at current progress, reason about the research plan, and intelligently make changes at runtime. This dynamic adaptation contrasts with parallel approaches, which often suffer from siloed knowledge. The Candidates Crossover algorithm further enhances search efficiency by deploying multiple LLM candidates with varied parameters to explore a larger search space, with their findings synthesized to curate a comprehensive final research response. The process concludes with One Shot Report Generation, ensuring the final document is informed by a unified narrative and high fact density. Powered by the Gemini 2.5 Pro model, our Deep Researcher was evaluated on the DeepResearch Bench, a globally recognized benchmark of 100 doctoral level research tasks. Our architecture achieved an overall score of 46.21, demonstrating superior performance by surpassing leading deep research agents such as Claude Researcher, Nvidia AIQ Research Assistant, Perplexity Research, Kimi Researcher and Grok Deeper Search present on the DeepResearch Bench actively running leaderboard. This performance marginally exceeds our previous work, Static DRA, and reinforces the finding that sequential scaling consistently outperforms the parallel self consistency paradigm.

  • 1 authors
·
Jan 28

SuRe: Summarizing Retrievals using Answer Candidates for Open-domain QA of LLMs

Large language models (LLMs) have made significant advancements in various natural language processing tasks, including question answering (QA) tasks. While incorporating new information with the retrieval of relevant passages is a promising way to improve QA with LLMs, the existing methods often require additional fine-tuning which becomes infeasible with recent LLMs. Augmenting retrieved passages via prompting has the potential to address this limitation, but this direction has been limitedly explored. To this end, we design a simple yet effective framework to enhance open-domain QA (ODQA) with LLMs, based on the summarized retrieval (SuRe). SuRe helps LLMs predict more accurate answers for a given question, which are well-supported by the summarized retrieval that could be viewed as an explicit rationale extracted from the retrieved passages. Specifically, SuRe first constructs summaries of the retrieved passages for each of the multiple answer candidates. Then, SuRe confirms the most plausible answer from the candidate set by evaluating the validity and ranking of the generated summaries. Experimental results on diverse ODQA benchmarks demonstrate the superiority of SuRe, with improvements of up to 4.6% in exact match (EM) and 4.0% in F1 score over standard prompting approaches. SuRe also can be integrated with a broad range of retrieval methods and LLMs. Finally, the generated summaries from SuRe show additional advantages to measure the importance of retrieved passages and serve as more preferred rationales by models and humans.

  • 8 authors
·
Apr 16, 2024

Is my automatic audio captioning system so bad? spider-max: a metric to consider several caption candidates

Automatic Audio Captioning (AAC) is the task that aims to describe an audio signal using natural language. AAC systems take as input an audio signal and output a free-form text sentence, called a caption. Evaluating such systems is not trivial, since there are many ways to express the same idea. For this reason, several complementary metrics, such as BLEU, CIDEr, SPICE and SPIDEr, are used to compare a single automatic caption to one or several captions of reference, produced by a human annotator. Nevertheless, an automatic system can produce several caption candidates, either using some randomness in the sentence generation process, or by considering the various competing hypothesized captions during decoding with beam-search, for instance. If we consider an end-user of an AAC system, presenting several captions instead of a single one seems relevant to provide some diversity, similarly to information retrieval systems. In this work, we explore the possibility to consider several predicted captions in the evaluation process instead of one. For this purpose, we propose SPIDEr-max, a metric that takes the maximum SPIDEr value among the scores of several caption candidates. To advocate for our metric, we report experiments on Clotho v2.1 and AudioCaps, with a transformed-based system. On AudioCaps for example, this system reached a SPIDEr-max value (with 5 candidates) close to the SPIDEr human score of reference.

  • 3 authors
·
Nov 14, 2022

DICTDIS: Dictionary Constrained Disambiguation for Improved NMT

Domain-specific neural machine translation (NMT) systems (e.g., in educational applications) are socially significant with the potential to help make information accessible to a diverse set of users in multilingual societies. It is desirable that such NMT systems be lexically constrained and draw from domain-specific dictionaries. Dictionaries could present multiple candidate translations for a source word/phrase due to the polysemous nature of words. The onus is then on the NMT model to choose the contextually most appropriate candidate. Prior work has largely ignored this problem and focused on the single candidate constraint setting wherein the target word or phrase is replaced by a single constraint. In this work we present DictDis, a lexically constrained NMT system that disambiguates between multiple candidate translations derived from dictionaries. We achieve this by augmenting training data with multiple dictionary candidates to actively encourage disambiguation during training by implicitly aligning multiple candidate constraints. We demonstrate the utility of DictDis via extensive experiments on English-Hindi and English-German sentences in a variety of domains including regulatory, finance, engineering. We also present comparisons on standard benchmark test datasets. In comparison with existing approaches for lexically constrained and unconstrained NMT, we demonstrate superior performance with respect to constraint copy and disambiguation related measures on all domains while also obtaining improved fluency of up to 2-3 BLEU points on some domains.

  • 3 authors
·
Oct 13, 2022

Hume: Introducing System-2 Thinking in Visual-Language-Action Model

Humans practice slow thinking before performing actual actions when handling complex tasks in the physical world. This thinking paradigm, recently, has achieved remarkable advancement in boosting Large Language Models (LLMs) to solve complex tasks in digital domains. However, the potential of slow thinking remains largely unexplored for robotic foundation models interacting with the physical world. In this work, we propose Hume: a dual-system Vision-Language-Action (VLA) model with value-guided System-2 thinking and cascaded action denoising, exploring human-like thinking capabilities of Vision-Language-Action models for dexterous robot control. System 2 of Hume implements value-Guided thinking by extending a Vision-Language-Action Model backbone with a novel value-query head to estimate the state-action value of predicted actions. The value-guided thinking is conducted by repeat sampling multiple action candidates and selecting one according to state-action value. System 1 of Hume is a lightweight reactive visuomotor policy that takes System 2 selected action and performs cascaded action denoising for dexterous robot control. At deployment time, System 2 performs value-guided thinking at a low frequency while System 1 asynchronously receives the System 2 selected action candidate and predicts fluid actions in real time. We show that Hume outperforms the existing state-of-the-art Vision-Language-Action models across multiple simulation benchmark and real-robot deployments.

  • 12 authors
·
May 27, 2025

Progress by Pieces: Test-Time Scaling for Autoregressive Image Generation

Recent visual autoregressive (AR) models have shown promising capabilities in text-to-image generation, operating in a manner similar to large language models. While test-time computation scaling has brought remarkable success in enabling reasoning-enhanced outputs for challenging natural language tasks, its adaptation to visual AR models remains unexplored and poses unique challenges. Naively applying test-time scaling strategies such as Best-of-N can be suboptimal: they consume full-length computation on erroneous generation trajectories, while the raster-scan decoding scheme lacks a blueprint of the entire canvas, limiting scaling benefits as only a few prompt-aligned candidates are generated. To address these, we introduce GridAR, a test-time scaling framework designed to elicit the best possible results from visual AR models. GridAR employs a grid-partitioned progressive generation scheme in which multiple partial candidates for the same position are generated within a canvas, infeasible ones are pruned early, and viable ones are fixed as anchors to guide subsequent decoding. Coupled with this, we present a layout-specified prompt reformulation strategy that inspects partial views to infer a feasible layout for satisfying the prompt. The reformulated prompt then guides subsequent image generation to mitigate the blueprint deficiency. Together, GridAR achieves higher-quality results under limited test-time scaling: with N=4, it even outperforms Best-of-N (N=8) by 14.4% on T2I-CompBench++ while reducing cost by 25.6%. It also generalizes to autoregressive image editing, showing comparable edit quality and a 13.9% gain in semantic preservation on PIE-Bench over larger-N baselines.

  • 4 authors
·
Nov 26, 2025

Variation in Verification: Understanding Verification Dynamics in Large Language Models

Recent advances have shown that scaling test-time computation enables large language models (LLMs) to solve increasingly complex problems across diverse domains. One effective paradigm for test-time scaling (TTS) involves LLM generators producing multiple solution candidates, with LLM verifiers assessing the correctness of these candidates without reference answers. In this paper, we study generative verifiers, which perform verification by generating chain-of-thought (CoT) reasoning followed by a binary verdict. We systematically analyze verification dynamics across three dimensions - problem difficulty, generator capability, and verifier generation capability - with empirical studies on 12 benchmarks across mathematical reasoning, knowledge, and natural language reasoning tasks using 14 open-source models (2B to 72B parameter range) and GPT-4o. Our experiments reveal three key findings about verification effectiveness: (1) Easy problems allow verifiers to more reliably certify correct responses; (2) Weak generators produce errors that are easier to detect than strong generators; (3) Verification ability is generally correlated with the verifier's own problem-solving capability, but this relationship varies with problem difficulty. These findings reveal opportunities to optimize basic verification strategies in TTS applications. First, given the same verifier, some weak generators can nearly match stronger ones in post-verification TTS performance (e.g., the Gemma2-9B to Gemma2-27B performance gap shrinks by 75.5%). Second, we identify cases where strong verifiers offer limited advantage over weak ones, as both fail to provide meaningful verification gains, suggesting that verifier scaling alone cannot overcome fundamental verification challenges.

  • 6 authors
·
Sep 22, 2025

Positive-Unlabeled Reinforcement Learning Distillation for On-Premise Small Models

Due to constraints on privacy, cost, and latency, on-premise deployment of small models is increasingly common. However, most practical pipelines stop at supervised fine-tuning (SFT) and fail to reach the reinforcement learning (RL) alignment stage. The main reason is that RL alignment typically requires either expensive human preference annotation or heavy reliance on high-quality reward models with large-scale API usage and ongoing engineering maintenance, both of which are ill-suited to on-premise settings. To bridge this gap, we propose a positive-unlabeled (PU) RL distillation method for on-premise small-model deployment. Without human-labeled preferences or a reward model, our method distills the teacher's preference-optimization capability from black-box generations into a locally trainable student. For each prompt, we query the teacher once to obtain an anchor response, locally sample multiple student candidates, and perform anchor-conditioned self-ranking to induce pairwise or listwise preferences, enabling a fully local training loop via direct preference optimization or group relative policy optimization. Theoretical analysis justifies that the induced preference signal by our method is order-consistent and concentrates on near-optimal candidates, supporting its stability for preference optimization. Experiments demonstrate that our method achieves consistently strong performance under a low-cost setting.

  • 11 authors
·
Jan 27

A Survey of Frontiers in LLM Reasoning: Inference Scaling, Learning to Reason, and Agentic Systems

Reasoning is a fundamental cognitive process that enables logical inference, problem-solving, and decision-making. With the rapid advancement of large language models (LLMs), reasoning has emerged as a key capability that distinguishes advanced AI systems from conventional models that empower chatbots. In this survey, we categorize existing methods along two orthogonal dimensions: (1) Regimes, which define the stage at which reasoning is achieved (either at inference time or through dedicated training); and (2) Architectures, which determine the components involved in the reasoning process, distinguishing between standalone LLMs and agentic compound systems that incorporate external tools, and multi-agent collaborations. Within each dimension, we analyze two key perspectives: (1) Input level, which focuses on techniques that construct high-quality prompts that the LLM condition on; and (2) Output level, which methods that refine multiple sampled candidates to enhance reasoning quality. This categorization provides a systematic understanding of the evolving landscape of LLM reasoning, highlighting emerging trends such as the shift from inference-scaling to learning-to-reason (e.g., DeepSeek-R1), and the transition to agentic workflows (e.g., OpenAI Deep Research, Manus Agent). Additionally, we cover a broad spectrum of learning algorithms, from supervised fine-tuning to reinforcement learning such as PPO and GRPO, and the training of reasoners and verifiers. We also examine key designs of agentic workflows, from established patterns like generator-evaluator and LLM debate to recent innovations. ...

  • 12 authors
·
Apr 11, 2025

ETS: Efficient Tree Search for Inference-Time Scaling

Test-time compute scaling has emerged as a new axis along which to improve model accuracy, where additional computation is used at inference time to allow the model to think longer for more challenging problems. One promising approach for test-time compute scaling is search against a process reward model, where a model generates multiple potential candidates at each step of the search, and these partial trajectories are then scored by a separate reward model in order to guide the search process. The diversity of trajectories in the tree search process affects the accuracy of the search, since increasing diversity promotes more exploration. However, this diversity comes at a cost, as divergent trajectories have less KV sharing, which means they consume more memory and slow down the search process. Previous search methods either do not perform sufficient exploration, or else explore diverse trajectories but have high latency. We address this challenge by proposing Efficient Tree Search (ETS), which promotes KV sharing by pruning redundant trajectories while maintaining necessary diverse trajectories. ETS incorporates a linear programming cost model to promote KV cache sharing by penalizing the number of nodes retained, while incorporating a semantic coverage term into the cost model to ensure that we retain trajectories which are semantically different. We demonstrate how ETS can achieve 1.8times reduction in average KV cache size during the search process, leading to 1.4times increased throughput relative to prior state-of-the-art methods, with minimal accuracy degradation and without requiring any custom kernel implementation. Code is available at: https://github.com/SqueezeAILab/ETS.

  • 10 authors
·
Feb 19, 2025

Imprecise Label Learning: A Unified Framework for Learning with Various Imprecise Label Configurations

Learning with reduced labeling standards, such as noisy label, partial label, and multiple label candidates, which we generically refer to as imprecise labels, is a commonplace challenge in machine learning tasks. Previous methods tend to propose specific designs for every emerging imprecise label configuration, which is usually unsustainable when multiple configurations of imprecision coexist. In this paper, we introduce imprecise label learning (ILL), a framework for the unification of learning with various imprecise label configurations. ILL leverages expectation-maximization (EM) for modeling the imprecise label information, treating the precise labels as latent variables.Instead of approximating the correct labels for training, it considers the entire distribution of all possible labeling entailed by the imprecise information. We demonstrate that ILL can seamlessly adapt to partial label learning, semi-supervised learning, noisy label learning, and, more importantly, a mixture of these settings. Notably, ILL surpasses the existing specified techniques for handling imprecise labels, marking the first unified framework with robust and effective performance across various challenging settings. We hope our work will inspire further research on this topic, unleashing the full potential of ILL in wider scenarios where precise labels are expensive and complicated to obtain.

  • 9 authors
·
May 22, 2023

Improving Probability-based Prompt Selection Through Unified Evaluation and Analysis

Large Language Models (LLMs) have demonstrated great capabilities in solving a wide range of tasks in a resource-efficient manner through prompting, which does not require task-specific training, but suffers from performance fluctuation when there are multiple prompt candidates. Previous works have introduced gradient-free probability-based prompt selection methods that aim to choose the optimal prompt among the candidates for a given task but fail to provide a comprehensive and fair comparison between each other. In this paper, we propose a unified framework to interpret and evaluate the existing probability-based prompt selection methods by performing extensive experiments on 13 common NLP tasks. We find that all existing methods can be unified into some variant of the method that maximizes the mutual information between the input and the corresponding model output (denoted as MI). Using the finding, we develop several variants of MI and increases the effectiveness of the best prompt selection method from 87.79% to 94.98%, measured as the ratio of the performance of the selected prompt to that of the optimal oracle prompt. Furthermore, we propose a novel calibration method called Calibration by Marginalization (CBM) that is orthogonal to existing methods and helps increase the prompt selection effectiveness of the best method by 99.44%. The code and datasets used in our work will be released at https://github.com/soheeyang/unified-prompt-selection.

  • 6 authors
·
May 24, 2023

Benchmarks for Pirá 2.0, a Reading Comprehension Dataset about the Ocean, the Brazilian Coast, and Climate Change

Pir\'a is a reading comprehension dataset focused on the ocean, the Brazilian coast, and climate change, built from a collection of scientific abstracts and reports on these topics. This dataset represents a versatile language resource, particularly useful for testing the ability of current machine learning models to acquire expert scientific knowledge. Despite its potential, a detailed set of baselines has not yet been developed for Pir\'a. By creating these baselines, researchers can more easily utilize Pir\'a as a resource for testing machine learning models across a wide range of question answering tasks. In this paper, we define six benchmarks over the Pir\'a dataset, covering closed generative question answering, machine reading comprehension, information retrieval, open question answering, answer triggering, and multiple choice question answering. As part of this effort, we have also produced a curated version of the original dataset, where we fixed a number of grammar issues, repetitions, and other shortcomings. Furthermore, the dataset has been extended in several new directions, so as to face the aforementioned benchmarks: translation of supporting texts from English into Portuguese, classification labels for answerability, automatic paraphrases of questions and answers, and multiple choice candidates. The results described in this paper provide several points of reference for researchers interested in exploring the challenges provided by the Pir\'a dataset.

  • 8 authors
·
Sep 19, 2023

A Data-Driven Framework for Designing Microstructure of Multifunctional Composites with Deep-Learned Diffusion-Based Generative Models

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of materials using deep-learned generative and surrogate models. The long-standing issue of microstructure reconstruction is well addressed in this study using a new class of state-of-the-art generative model, the diffusion-based generative model (DGM). Moreover, the conditional formulation of DGM for guidance to the embedded desired material properties with a transformer-based attention mechanism enables the inverse design of multifunctional composites. A convolutional neural network (CNN)-based surrogate model is utilized to analyze the nonlinear material behavior to facilitate the prediction of material properties for building microstructure-property linkages. Combined, these generative and surrogate models enable large data processing and database construction that is often not affordable with resource-intensive finite element method (FEM)-based direct numerical simulation (DNS) and iterative reconstruction methods. An example case is presented to demonstrate the effectiveness of the proposed approach, which is designing mechanoluminescence (ML) particulate composites made of europium and dysprosium ions. The results show that the inversely-designed multiple ML microstructure candidates with the proposed generative and surrogate models meet the multiple design requirements (e.g., volume fraction, elastic constant, and light sensitivity). The evaluation of the generated samples' quality and the surrogate models' performance using appropriate metrics are also included. This assessment demonstrates that the proposed integrated methodology offers an end-to-end solution for practical material design applications.

  • 3 authors
·
Jul 14, 2023

WebOperator: Action-Aware Tree Search for Autonomous Agents in Web Environment

LLM-based agents often operate in a greedy, step-by-step manner, selecting actions solely based on the current observation without considering long-term consequences or alternative paths. This lack of foresight is particularly problematic in web environments, which are only partially observable-limited to browser-visible content (e.g., DOM and UI elements)-where a single misstep often requires complex and brittle navigation to undo. Without an explicit backtracking mechanism, agents struggle to correct errors or systematically explore alternative paths. Tree-search methods provide a principled framework for such structured exploration, but existing approaches lack mechanisms for safe backtracking, making them prone to unintended side effects. They also assume that all actions are reversible, ignoring the presence of irreversible actions-limitations that reduce their effectiveness in realistic web tasks. To address these challenges, we introduce WebOperator, a tree-search framework that enables reliable backtracking and strategic exploration. Our method incorporates a best-first search strategy that ranks actions by both reward estimates and safety considerations, along with a robust backtracking mechanism that verifies the feasibility of previously visited paths before replaying them, preventing unintended side effects. To further guide exploration, WebOperator generates action candidates from multiple, varied reasoning contexts to ensure diverse and robust exploration, and subsequently curates a high-quality action set by filtering out invalid actions pre-execution and merging semantically equivalent ones. Experimental results on WebArena and WebVoyager demonstrate the effectiveness of WebOperator. On WebArena, WebOperator achieves a state-of-the-art 54.6% success rate with gpt-4o, underscoring the critical advantage of integrating strategic foresight with safe execution.

  • 4 authors
·
Dec 14, 2025 2

SproutRAG: Attention-Guided Tree Search with Progressive Embeddings for Long-Document RAG

Retrieval-augmented generation (RAG) systems must balance retrieval granularity with contextual coherence, a challenge that existing methods address through LLM-guided chunking, single-level context expansion, or hierarchical summarization. These approaches variously depend on costly LLM calls during indexing or retrieval, limit context aggregation to a single granularity level, or introduce information loss through summarization. We present SproutRAG, an attention-guided hierarchical RAG framework that addresses this trade-off by organizing sentence-level chunks into progressively larger but semantically coherent units, using learned inter-sentence attention to construct a binary chunking tree. Unlike prior approaches that rely on external LLMs, fixed context expansion, or lossy summarization, SproutRAG learns which attention heads and layers best capture semantic document structure, enabling multi-granularity retrieval without additional LLM calls or compressed summaries. At retrieval time, SproutRAG uses hierarchical beam search to retrieve candidates at multiple granularities, capturing multi-sentence relevance beyond flat retrieval. The framework is trained end-to-end with a joint objective that improves both embeddings and tree structure. Experiments across four benchmarks spanning scientific, legal, and open-domain settings demonstrate that SproutRAG improves information efficiency (IE) by 6.1% on average over the strongest baseline. Code is available on https://github.com/AmirAbaskohi/SproutRAG.

T2V-OptJail: Discrete Prompt Optimization for Text-to-Video Jailbreak Attacks

In recent years, fueled by the rapid advancement of diffusion models, text-to-video (T2V) generation models have achieved remarkable progress, with notable examples including Pika, Luma, Kling, and Open-Sora. Although these models exhibit impressive generative capabilities, they also expose significant security risks due to their vulnerability to jailbreak attacks, where the models are manipulated to produce unsafe content such as pornography, violence, or discrimination. Existing works such as T2VSafetyBench provide preliminary benchmarks for safety evaluation, but lack systematic methods for thoroughly exploring model vulnerabilities. To address this gap, we are the first to formalize the T2V jailbreak attack as a discrete optimization problem and propose a joint objective-based optimization framework, called T2V-OptJail. This framework consists of two key optimization goals: bypassing the built-in safety filtering mechanisms to increase the attack success rate, preserving semantic consistency between the adversarial prompt and the unsafe input prompt, as well as between the generated video and the unsafe input prompt, to enhance content controllability. In addition, we introduce an iterative optimization strategy guided by prompt variants, where multiple semantically equivalent candidates are generated in each round, and their scores are aggregated to robustly guide the search toward optimal adversarial prompts. We conduct large-scale experiments on several T2V models, covering both open-source models and real commercial closed-source models. The experimental results show that the proposed method improves 11.4% and 10.0% over the existing state-of-the-art method in terms of attack success rate assessed by GPT-4, attack success rate assessed by human accessors, respectively, verifying the significant advantages of the method in terms of attack effectiveness and content control.

  • 8 authors
·
May 10, 2025

Sifting through the Chaff: On Utilizing Execution Feedback for Ranking the Generated Code Candidates

Large Language Models (LLMs), such as GPT-4, StarCoder, and CodeLlama, are transforming the way developers approach programming by automatically generating code based on given natural language descriptions. Despite advancements, generating syntactically and semantically correct code remains challenging, especially for complex programming tasks. Existing approaches typically generate multiple candidate solutions using LLMs to increase the likelihood of producing correct code. However, selecting the correct code from these candidates-a process known as code ranking-remains a major challenge. Current research on code ranking can be categorized into execution-based and non-execution-based methods. Execution-based methods, although effective, encounter notable limitations, such as scarcity of quality unit tests and security risks. Non-execution-based methods like CodeRanker, which rely solely on classification labels to train a code ranker, struggle to capture subtle errors and provide detailed error insights. Recognizing the strengths and limitations of both approaches, we propose a new method. The key insight of our work is that an effective code ranker is expected to truly comprehend the underlying causes of erroneous code, as relying solely on classification labels is insufficient. Inspired by this, this paper puts forward RankEF, an innovative approach for code ranking that leverages execution feedback. RankEF employs multi-task learning to integrate code classification with execution feedback generation. This approach enables the model to understand the reasons behind incorrect code, distinguishing between correct and incorrect solutions without the need to execute the code during the ranking phase. Experiments on three code generation benchmarks demonstrate that RankEF significantly outperforms the state-of-the-art CodeRanker.

  • 7 authors
·
Aug 25, 2024

LRanker: LLM Ranker for Massive Candidates

Large language models (LLMs) have recently shown strong potential for ranking by capturing semantic relevance and adapting across diverse domains, yet existing methods remain constrained by limited context length and high computational costs, restricting their applicability to real-world scenarios where candidate pools often scale to millions. To address this challenge, we propose LRanker, a framework tailored for large-candidate ranking. LRanker incorporates a candidate aggregation encoder that leverages K-means clustering to explicitly model global candidate information, and a graph-based test-time scaling mechanism that partitions candidates into subsets, generates multiple query embeddings, and integrates them through an ensemble procedure. By aggregating diverse embeddings instead of relying on a single representation, this mechanism enhances robustness and expressiveness, leading to more accurate ranking over massive candidate pools. We evaluate LRanker on seven tasks across three scenarios in RBench with different candidate scales. Experimental results show that LRanker achieves over 30% gains in the RBench-Small scenario, improves by 3-9% in MRR in the RBench-Large scenario, and sustains scalability with 20-30% improvements in the RBench-Ultra scenario with more than 6.8M candidates. Ablation studies further verify the effectiveness of its key components. Together, these findings demonstrate the robustness, scalability, and effectiveness of LRanker for massive-candidate ranking.

  • 7 authors
·
May 26

SgrA* spin and mass estimates through the detection of multiple extremely large mass-ratio inspirals

We analyze the parameter estimation accuracy that can be achieved for the mass and spin of SgrA*, the SMBH in our Galactic Center, by detecting multiple extremely large mass-ratio inspirals (XMRIs). XMRIs are formed by brown dwarfs (BD) inspiraling into a supermassive black hole (SMBH), thus emitting gravitational waves (GWs) inside the detection band of future space-based detectors such as LISA and TianQin. Theoretical estimates suggest the presence of approximately 10 XMRIs emitting detectable GWs, making them some of the most promising candidates for space-based GW detectors. Our analysis indicates that even if individual sources have low SNRs (approx10), high-precision parameter estimates can still be achieved by detecting multiple sources. In this case, the accuracy of the parameter estimates increases by approximately one to two orders of magnitude, at least. Moreover, by analyzing a small sample of 400 initial conditions for XMRIs formed in the Galactic Center, we estimate that almost 80 % of the detectable XMRIs orbiting SgrA* will have eccentricities between 0.43 to 0.95 and an SNRin [10,100]. The remaining sim20 % of the sources have an SNRin [100,1000] and eccentricities ranging from 0.25 to 0.92. Additionally, some XMRIs with high SNR are far from being circular. These loud sources with SNRapprox 1000 can have eccentricities as high as eapprox0.7; although their detection chances are low, representing lesssim2 % of the detectable sources, their presence is not ruled out.

  • 3 authors
·
Dec 30, 2024

InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery

Inverse materials design starts from target functionality and searches for structures that can realize it. Its value in closed-loop discovery depends not only on prediction performance, but also on whether expensive first-principles results are independently validated, provenance-recorded, and admitted as feedback only when evidence is sufficient. This is especially important for composite properties such as carrier mobility, where a final scalar value hides intermediate quantities, fit quality, convergence history, and workflow assumptions. Here we present InvDesMobility, a reliability-gated first-principles feedback framework that integrates multi-agent automated DFT, evidence stratification, generative structure proposal, acquisition ranking, and auditable release. Using 516 2DMatPedia-derived candidates, the workflow produced 280 QC-passed materials and 573 retained carrier-direction seed channels after channel-level reliability gating. These records were split into two feedback objects: relaxed structures updated the generative model, while retained mobility channels trained the acquisition model and set validation priority. Over multiple iterations, InvDesMobility screened 2.4 x 10^6 structures, submitted 102 candidates for DFT validation, and retained 86 reliability-gated generated channels across 41 formulas. Overall, the main contribution is not a fixed list of high-mobility materials, but a transferable feedback contract that makes closed-loop inverse design both useful and auditable when learning from expensive calculated properties. All source data, retained feedback records, and workflows are available at https://github.com/DreamLufei/invDesMobility, with an accompanying evidence website at https://dreamlufei.github.io/invDesMobility/.

  • 5 authors
·
Jun 14

mCLM: A Modular Chemical Language Model that Generates Functional and Makeable Molecules

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

  • 14 authors
·
May 18, 2025

kNN-Embed: Locally Smoothed Embedding Mixtures For Multi-interest Candidate Retrieval

Candidate generation is the first stage in recommendation systems, where a light-weight system is used to retrieve potentially relevant items for an input user. These candidate items are then ranked and pruned in later stages of recommender systems using a more complex ranking model. Since candidate generation is the top of the recommendation funnel, it is important to retrieve a high-recall candidate set to feed into downstream ranking models. A common approach for candidate generation is to leverage approximate nearest neighbor (ANN) search from a single dense query embedding; however, this approach this can yield a low-diversity result set with many near duplicates. As users often have multiple interests, candidate retrieval should ideally return a diverse set of candidates reflective of the user's multiple interests. To this end, we introduce kNN-Embed, a general approach to improving diversity in dense ANN-based retrieval. kNN-Embed represents each user as a smoothed mixture over learned item clusters that represent distinct `interests' of the user. By querying each of a user's mixture component in proportion to their mixture weights, we retrieve a high-diversity set of candidates reflecting elements from each of a user's interests. We experimentally compare kNN-Embed to standard ANN candidate retrieval, and show significant improvements in overall recall and improved diversity across three datasets. Accompanying this work, we open source a large Twitter follow-graph dataset, to spur further research in graph-mining and representation learning for recommender systems.

  • 6 authors
·
May 12, 2022

Multi-LLM Collaborative Caption Generation in Scientific Documents

Scientific figure captioning is a complex task that requires generating contextually appropriate descriptions of visual content. However, existing methods often fall short by utilizing incomplete information, treating the task solely as either an image-to-text or text summarization problem. This limitation hinders the generation of high-quality captions that fully capture the necessary details. Moreover, existing data sourced from arXiv papers contain low-quality captions, posing significant challenges for training large language models (LLMs). In this paper, we introduce a framework called Multi-LLM Collaborative Figure Caption Generation (MLBCAP) to address these challenges by leveraging specialized LLMs for distinct sub-tasks. Our approach unfolds in three key modules: (Quality Assessment) We utilize multimodal LLMs to assess the quality of training data, enabling the filtration of low-quality captions. (Diverse Caption Generation) We then employ a strategy of fine-tuning/prompting multiple LLMs on the captioning task to generate candidate captions. (Judgment) Lastly, we prompt a prominent LLM to select the highest quality caption from the candidates, followed by refining any remaining inaccuracies. Human evaluations demonstrate that informative captions produced by our approach rank better than human-written captions, highlighting its effectiveness. Our code is available at https://github.com/teamreboott/MLBCAP

  • 11 authors
·
Jan 5, 2025

Multivector Reranking in the Era of Strong First-Stage Retrievers

Learned multivector representations power modern search systems with strong retrieval effectiveness, but their real-world use is limited by the high cost of exhaustive token-level retrieval. Therefore, most systems adopt a gather-and-refine strategy, where a lightweight gather phase selects candidates for full scoring. However, this approach requires expensive searches over large token-level indexes and often misses the documents that would rank highest under full similarity. In this paper, we reproduce several state-of-the-art multivector retrieval methods on two publicly available datasets, providing a clear picture of the current multivector retrieval field and observing the inefficiency of token-level gathering. Building on top of that, we show that replacing the token-level gather phase with a single-vector document retriever -- specifically, a learned sparse retriever (LSR) -- produces a smaller and more semantically coherent candidate set. This recasts the gather-and-refine pipeline into the well-established two-stage retrieval architecture. As retrieval latency decreases, query encoding with two neural encoders becomes the dominant computational bottleneck. To mitigate this, we integrate recent inference-free LSR methods, demonstrating that they preserve the retrieval effectiveness of the dual-encoder pipeline while substantially reducing query encoding time. Finally, we investigate multiple reranking configurations that balance efficiency, memory, and effectiveness, and we introduce two optimization techniques that prune low-quality candidates early. Empirical results show that these techniques improve retrieval efficiency by up to 1.8times with no loss in quality. Overall, our two-stage approach achieves over 24times speedup over the state-of-the-art multivector retrieval systems, while maintaining comparable or superior retrieval quality.

  • 4 authors
·
Jan 8

Analysis of the JWST spectra of the kilonova AT 2023vfi accompanying GRB 230307A

Kilonovae are key to advancing our understanding of r-process nucleosynthesis. To date, only two kilonovae have been spectroscopically observed, AT 2017gfo and AT 2023vfi. Here, we present an analysis of the James Webb Space Telescope (JWST) spectra obtained +29 and +61 days post-merger for AT 2023vfi (the kilonova associated with GRB 230307A). After re-reducing and photometrically flux-calibrating the data, we empirically model the observed X-ray to mid-infrared continua with a power law and a blackbody, to replicate the non-thermal afterglow and apparent thermal continuum gtrsim 2 , mum. We fit Gaussians to the apparent emission features, obtaining line centroids of 20218_{-38}^{+37}, 21874 pm 89 and 44168_{-152}^{+153}\,\AA, and velocity widths spanning 0.057 - 0.110\,c. These line centroid constraints facilitated a detailed forbidden line identification search, from which we shortlist a number of r-process species spanning all three r-process peaks. We rule out Ba II and Ra II as candidates and propose Te I-III, Er I-III and W III as the most promising ions for further investigation, as they plausibly produce multiple emission features from one (W III) or multiple (Te I-III, Er I-III) ion stages. We compare to the spectra of AT 2017gfo, which also exhibit prominent emission at sim 2.1 , mum, and conclude that [Te III] lambda21050 remains the most plausible cause of the observed sim 2.1 , mum emission in both kilonovae. However, the observed line centroids are not consistent between both objects, and they are significantly offset from [Te III] lambda21050. The next strongest [Te III] transition at 29290\,\AA\ is not observed, and we quantify its detectability. Further study is required, with particular emphasis on expanding the available atomic data to enable quantitative non-LTE spectral modelling.

  • 2 authors
·
Aug 20, 2024

Intent3D: 3D Object Detection in RGB-D Scans Based on Human Intention

In real-life scenarios, humans seek out objects in the 3D world to fulfill their daily needs or intentions. This inspires us to introduce 3D intention grounding, a new task in 3D object detection employing RGB-D, based on human intention, such as "I want something to support my back". Closely related, 3D visual grounding focuses on understanding human reference. To achieve detection based on human intention, it relies on humans to observe the scene, reason out the target that aligns with their intention ("pillow" in this case), and finally provide a reference to the AI system, such as "A pillow on the couch". Instead, 3D intention grounding challenges AI agents to automatically observe, reason and detect the desired target solely based on human intention. To tackle this challenge, we introduce the new Intent3D dataset, consisting of 44,990 intention texts associated with 209 fine-grained classes from 1,042 scenes of the ScanNet dataset. We also establish several baselines based on different language-based 3D object detection models on our benchmark. Finally, we propose IntentNet, our unique approach, designed to tackle this intention-based detection problem. It focuses on three key aspects: intention understanding, reasoning to identify object candidates, and cascaded adaptive learning that leverages the intrinsic priority logic of different losses for multiple objective optimization.

  • 6 authors
·
May 28, 2024

G3Reg: Pyramid Graph-based Global Registration using Gaussian Ellipsoid Model

This study introduces a novel framework, G3Reg, for fast and robust global registration of LiDAR point clouds. In contrast to conventional complex keypoints and descriptors, we extract fundamental geometric primitives, including planes, clusters, and lines (PCL) from the raw point cloud to obtain low-level semantic segments. Each segment is represented as a unified Gaussian Ellipsoid Model (GEM), using a probability ellipsoid to ensure the ground truth centers are encompassed with a certain degree of probability. Utilizing these GEMs, we present a distrust-and-verify scheme based on a Pyramid Compatibility Graph for Global Registration (PAGOR). Specifically, we establish an upper bound, which can be traversed based on the confidence level for compatibility testing to construct the pyramid graph. Then, we solve multiple maximum cliques (MAC) for each level of the pyramid graph, thus generating the corresponding transformation candidates. In the verification phase, we adopt a precise and efficient metric for point cloud alignment quality, founded on geometric primitives, to identify the optimal candidate. The algorithm's performance is validated on three publicly available datasets and a self-collected multi-session dataset. Parameter settings remained unchanged during the experiment evaluations. The results exhibit superior robustness and real-time performance of the G3Reg framework compared to state-of-the-art methods. Furthermore, we demonstrate the potential for integrating individual GEM and PAGOR components into other registration frameworks to enhance their efficacy. Code: https://github.com/HKUST-Aerial-Robotics/G3Reg

  • 5 authors
·
Aug 22, 2023

IDESplat: Iterative Depth Probability Estimation for Generalizable 3D Gaussian Splatting

Generalizable 3D Gaussian Splatting aims to directly predict Gaussian parameters using a feed-forward network for scene reconstruction. Among these parameters, Gaussian means are particularly difficult to predict, so depth is usually estimated first and then unprojected to obtain the Gaussian sphere centers. Existing methods typically rely solely on a single warp to estimate depth probability, which hinders their ability to fully leverage cross-view geometric cues, resulting in unstable and coarse depth maps. To address this limitation, we propose IDESplat, which iteratively applies warp operations to boost depth probability estimation for accurate Gaussian mean prediction. First, to eliminate the inherent instability of a single warp, we introduce a Depth Probability Boosting Unit (DPBU) that integrates epipolar attention maps produced by cascading warp operations in a multiplicative manner. Next, we construct an iterative depth estimation process by stacking multiple DPBUs, progressively identifying potential depth candidates with high likelihood. As IDESplat iteratively boosts depth probability estimates and updates the depth candidates, the depth map is gradually refined, resulting in accurate Gaussian means. We conduct experiments on RealEstate10K, ACID, and DL3DV. IDESplat achieves outstanding reconstruction quality and state-of-the-art performance with real-time efficiency. On RE10K, it outperforms DepthSplat by 0.33 dB in PSNR, using only 10.7% of the parameters and 70% of the memory. Additionally, our IDESplat improves PSNR by 2.95 dB over DepthSplat on the DTU dataset in cross-dataset experiments, demonstrating its strong generalization ability.

  • 6 authors
·
Mar 25

Sift or Get Off the PoC: Applying Information Retrieval to Vulnerability Research with SiftRank

Security research is fundamentally a problem of resource constraint and consequent prioritization. There is simply too much attack surface and too little time and energy to spend analyzing it all. The most effective security researchers are often those who are most skilled at intuitively deciding which part of an expansive attack surface to investigate. We demonstrate that this problem of selecting the most promising option from among many possibilities can be reframed as an information retrieval problem, and solved using document ranking techniques with LLMs performing the heavy lifting as general-purpose rankers. We present SiftRank, a ranking algorithm achieving O(n) complexity through three key mechanisms: listwise ranking using an LLM to order documents in small batches of approximately 10 items at a time; inflection-based convergence detection that adaptively terminates ranking when score distributions have stabilized; and iterative refinement that progressively focuses ranking effort on the most relevant documents. Unlike existing reranking approaches that require a separate first-stage retrieval step to narrow datasets to approximately 100 candidates, SiftRank operates directly on thousands of items, with each document evaluated across multiple randomized batches to mitigate inconsistent judgments by an LLM. We demonstrate practical effectiveness on N-day vulnerability analysis, successfully identifying a vulnerability-fixing function among 2,197 changed functions in a stripped binary firmware patch within 99 seconds at an inference cost of $0.82. Our approach enables scalable security prioritization for problems that are generally constrained by manual analysis, requiring only standard LLM API access without specialized infrastructure, embedding, or domain-specific fine-tuning. An open-source implementation of SiftRank may be found at https://github.com/noperator/siftrank.

  • 1 authors
·
Dec 4, 2025

Universal Biological Sequence Reranking for Improved De Novo Peptide Sequencing

De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise signals, leading to data-specific biases. We present RankNovo, the first deep reranking framework that enhances de novo peptide sequencing by leveraging the complementary strengths of multiple sequencing models. RankNovo employs a list-wise reranking approach, modeling candidate peptides as multiple sequence alignments and utilizing axial attention to extract informative features across candidates. Additionally, we introduce two new metrics, PMD (Peptide Mass Deviation) and RMD (residual Mass Deviation), which offer delicate supervision by quantifying mass differences between peptides at both the sequence and residue levels. Extensive experiments demonstrate that RankNovo not only surpasses its base models used to generate training candidates for reranking pre-training, but also sets a new state-of-the-art benchmark. Moreover, RankNovo exhibits strong zero-shot generalization to unseen models whose generations were not exposed during training, highlighting its robustness and potential as a universal reranking framework for peptide sequencing. Our work presents a novel reranking strategy that fundamentally challenges existing single-model paradigms and advances the frontier of accurate de novo sequencing. Our source code is provided on GitHub.

  • 9 authors
·
May 23, 2025 2

Policy Agnostic RL: Offline RL and Online RL Fine-Tuning of Any Class and Backbone

Recent advances in learning decision-making policies can largely be attributed to training expressive policy models, largely via imitation learning. While imitation learning discards non-expert data, reinforcement learning (RL) can still learn from suboptimal data. However, instantiating RL training of a new policy class often presents a different challenge: most deep RL machinery is co-developed with assumptions on the policy class and backbone, resulting in poor performance when the policy class changes. For instance, SAC utilizes a low-variance reparameterization policy gradient for Gaussian policies, but this is unstable for diffusion policies and intractable for autoregressive categorical policies. To address this issue, we develop an offline RL and online fine-tuning approach called policy-agnostic RL (PA-RL) that can effectively train multiple policy classes, with varying architectures and sizes. We build off the basic idea that a universal supervised learning loss can replace the policy improvement step in RL, as long as it is applied on "optimized" actions. To obtain these optimized actions, we first sample multiple actions from a base policy, and run global optimization (i.e., re-ranking multiple action samples using the Q-function) and local optimization (i.e., running gradient steps on an action sample) to maximize the critic on these candidates. PA-RL enables fine-tuning diffusion and transformer policies with either autoregressive tokens or continuous action outputs, at different sizes, entirely via actor-critic RL. Moreover, PA-RL improves the performance and sample-efficiency by up to 2 times compared to existing offline RL and online fine-tuning methods. We show the first result that successfully fine-tunes OpenVLA, a 7B generalist robot policy, autonomously with Cal-QL, an online RL fine-tuning algorithm, improving from 40% to 70% in the real world in 40 minutes.

  • 7 authors
·
Dec 9, 2024

Keyword-driven Retrieval-Augmented Large Language Models for Cold-start User Recommendations

Recent advancements in Large Language Models (LLMs) have shown significant potential in enhancing recommender systems. However, addressing the cold-start recommendation problem, where users lack historical data, remains a considerable challenge. In this paper, we introduce KALM4Rec (Keyword-driven Retrieval-Augmented Large Language Models for Cold-start User Recommendations), a novel framework specifically designed to tackle this problem by requiring only a few input keywords from users in a practical scenario of cold-start user restaurant recommendations. KALM4Rec operates in two main stages: candidates retrieval and LLM-based candidates re-ranking. In the first stage, keyword-driven retrieval models are used to identify potential candidates, addressing LLMs' limitations in processing extensive tokens and reducing the risk of generating misleading information. In the second stage, we employ LLMs with various prompting strategies, including zero-shot and few-shot techniques, to re-rank these candidates by integrating multiple examples directly into the LLM prompts. Our evaluation, using a Yelp restaurant dataset with user reviews from three English-speaking cities, shows that our proposed framework significantly improves recommendation quality. Specifically, the integration of in-context instructions with LLMs for re-ranking markedly enhances the performance of the cold-start user recommender system.

  • 4 authors
·
May 29, 2024

Tomayto, Tomahto. Beyond Token-level Answer Equivalence for Question Answering Evaluation

The predictions of question answering (QA)systems are typically evaluated against manually annotated finite sets of one or more answers. This leads to a coverage limitation that results in underestimating the true performance of systems, and is typically addressed by extending over exact match (EM) with pre-defined rules or with the token-level F1 measure. In this paper, we present the first systematic conceptual and data-driven analysis to examine the shortcomings of token-level equivalence measures. To this end, we define the asymmetric notion of answer equivalence (AE), accepting answers that are equivalent to or improve over the reference, and publish over 23k human judgments for candidates produced by multiple QA systems on SQuAD. Through a careful analysis of this data, we reveal and quantify several concrete limitations of the F1 measure, such as a false impression of graduality, or missing dependence on the question. Since collecting AE annotations for each evaluated model is expensive, we learn a BERT matching (BEM) measure to approximate this task. Being a simpler task than QA, we find BEM to provide significantly better AE approximations than F1, and to more accurately reflect the performance of systems. Finally, we demonstrate the practical utility of AE and BEM on the concrete application of minimal accurate prediction sets, reducing the number of required answers by up to x2.6.

  • 5 authors
·
Feb 15, 2022

Keypoint Promptable Re-Identification

Occluded Person Re-Identification (ReID) is a metric learning task that involves matching occluded individuals based on their appearance. While many studies have tackled occlusions caused by objects, multi-person occlusions remain less explored. In this work, we identify and address a critical challenge overlooked by previous occluded ReID methods: the Multi-Person Ambiguity (MPA) arising when multiple individuals are visible in the same bounding box, making it impossible to determine the intended ReID target among the candidates. Inspired by recent work on prompting in vision, we introduce Keypoint Promptable ReID (KPR), a novel formulation of the ReID problem that explicitly complements the input bounding box with a set of semantic keypoints indicating the intended target. Since promptable re-identification is an unexplored paradigm, existing ReID datasets lack the pixel-level annotations necessary for prompting. To bridge this gap and foster further research on this topic, we introduce Occluded-PoseTrack ReID, a novel ReID dataset with keypoints labels, that features strong inter-person occlusions. Furthermore, we release custom keypoint labels for four popular ReID benchmarks. Experiments on person retrieval, but also on pose tracking, demonstrate that our method systematically surpasses previous state-of-the-art approaches on various occluded scenarios. Our code, dataset and annotations are available at https://github.com/VlSomers/keypoint_promptable_reidentification.

  • 3 authors
·
Jul 25, 2024

Medusa: Simple LLM Inference Acceleration Framework with Multiple Decoding Heads

The inference process in Large Language Models (LLMs) is often limited due to the absence of parallelism in the auto-regressive decoding process, resulting in most operations being restricted by the memory bandwidth of accelerators. While methods such as speculative decoding have been suggested to address this issue, their implementation is impeded by the challenges associated with acquiring and maintaining a separate draft model. In this paper, we present Medusa, an efficient method that augments LLM inference by adding extra decoding heads to predict multiple subsequent tokens in parallel. Using a tree-based attention mechanism, Medusa constructs multiple candidate continuations and verifies them simultaneously in each decoding step. By leveraging parallel processing, Medusa introduces only minimal overhead in terms of single-step latency while substantially reducing the number of decoding steps required. We present two levels of fine-tuning procedures for Medusa to meet the needs of different use cases: Medusa-1: Medusa is directly fine-tuned on top of a frozen backbone LLM, enabling lossless inference acceleration. Medusa-2: Medusa is fine-tuned together with the backbone LLM, enabling better prediction accuracy of Medusa heads and higher speedup but needing a special training recipe that preserves the backbone model's capabilities. Moreover, we propose several extensions that improve or expand the utility of Medusa, including a self-distillation to handle situations where no training data is available and a typical acceptance scheme to boost the acceptance rate while maintaining generation quality. We evaluate Medusa on models of various sizes and training procedures. Our experiments demonstrate that Medusa-1 can achieve over 2.2x speedup without compromising generation quality, while Medusa-2 further improves the speedup to 2.3-3.6x.

  • 7 authors
·
Jan 19, 2024 3

VecCISC: Improving Confidence-Informed Self-Consistency with Reasoning Trace Clustering and Candidate Answer Selection

A standard technique for scaling inference-time reasoning is Self-Consistency, whereby multiple candidate answers are sampled from an LLM and the most common answer is selected. More recently, it has been shown that weighted majority voting (e.g. Confidence-Informed Self Consistency (CISC)), which assigns a confidence value to each candidate answer and chooses the answer with the largest accumulated score, tends to be more accurate on a wide range of popular benchmarks. In practice, weighted majority voting necessitates calling a critic LLM on each candidate's reasoning trace to produce the answer's confidence score. This secondary series of LLM calls greatly increases the overhead and cost of weighted majority voting, despite its potential performance benefits. To reduce this expense, we propose VecCISC, a lightweight, adaptive framework that uses a measure of semantic similarity to filter reasoning traces that are semantically equivalent to others, degenerate, or hallucinated, thus decreasing the number of candidate answers that must be evaluated by the critic. To ensure adequate experimental thoroughness, we evaluate VecCISC on five challenging, widely-adopted datasets spanning the domains of mathematics, chemistry, biology, commonsense reasoning, and the humanities. Our results demonstrate that VecCISC reduces the total token usage by 47%, while maintaining or exceeding the accuracy of CISC.

  • 4 authors
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May 7

AdaThink-Med: Medical Adaptive Thinking with Uncertainty-Guided Length Calibration

Recent advances in inference time scaling with extended long chain-of thought have significantly improved the reasoning capabilities of both general and medical large language models (LLMs). However, these models tend to engage in lengthy reasoning processes regardless of the difficulty of the input question, leading to increased inference costs in real-world applications. Therefore, enabling adaptive thinking where models think less for simpler questions and think more for complex ones is critical for the effective use of medical LLMs in practice. Despite its importance, there is a lack of end-to-end approaches designed to enhance the adaptive thinking capabilities of medical LLMs while providing a comprehensive examination of the trade-off between performance and computational cost. To bridge this gap, we propose AdaThink-Med, the first end-to-end framework designed to enhance adaptive thinking ability in medical reasoning models with uncertainty-guided length calibration. AdaThink-Med first generates multiple candidate outputs for each question, evaluates the correctness and uncertainty of each candidate, and then estimates problem difficulty via an uncertainty-guided length calibration module. For outputs with low difficulty and correct answers, the framework penalizes longer reasoning paths; whereas for those with high difficulty and incorrect answers, it encourages extending the chain of thought to explore alternative solutions. On six public medical QA benchmarks, AdaThink-Med achieves up to 6.4x length reduction on average while retaining performance with only minimal degradation. Intriguingly, we observe that AdaThink-Med spontaneously develops two distinct reasoning modes, which we characterize as "non-thinking" and "thinking", demonstrating the model's ability to suppress redundant reasoning processes dynamically.

  • 4 authors
·
Sep 29, 2025

Uncertainty-quantified Rollout Policy Adaptation for Unlabelled Cross-domain Temporal Grounding

Video Temporal Grounding (TG) aims to temporally locate video segments matching a natural language description (a query) in a long video. While Vision-Language Models (VLMs) are effective at holistic semantic matching, they often struggle with fine-grained temporal localisation. Recently, Group Relative Policy Optimisation (GRPO) reformulates the inference process as a reinforcement learning task, enabling fine-grained grounding and achieving strong in-domain performance. However, GRPO relies on labelled data, making it unsuitable in unlabelled domains. Moreover, because videos are large and expensive to store and process, performing full-scale adaptation introduces prohibitive latency and computational overhead, making it impractical for real-time deployment. To overcome both problems, we introduce a Data-Efficient Unlabelled Cross-domain Temporal Grounding method, from which a model is first trained on a labelled source domain, then adapted to a target domain using only a small number of unlabelled videos from the target domain. This approach eliminates the need for target annotation and keeps both computational and storage overhead low enough to run in real time. Specifically, we introduce. Uncertainty-quantified Rollout Policy Adaptation (URPA) for cross-domain knowledge transfer in learning video temporal grounding without target labels. URPA generates multiple candidate predictions using GRPO rollouts, averages them to form a pseudo label, and estimates confidence from the variance across these rollouts. This confidence then weights the training rewards, guiding the model to focus on reliable supervision. Experiments on three datasets across six cross-domain settings show that URPA generalises well using only a few unlabelled target videos. Codes will be released once published.

  • 7 authors
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Aug 8, 2025

ECHO: Entropy-Confidence Hybrid Optimization for Test-Time Reinforcement Learning

Test-time reinforcement learning generates multiple candidate answers via repeated rollouts and performs online updates using pseudo-labels constructed by majority voting. To reduce overhead and improve exploration, prior work introduces tree structured rollouts, which share reasoning prefixes and branch at key nodes to improve sampling efficiency. However, this paradigm still faces two challenges: (1) high entropy branching can trigger rollout collapse, where the branching budget concentrates on a few trajectories with consecutive high-entropy segments, rapidly reducing the number of effective branches; (2) early pseudo-labels are noisy and biased, which can induce self-reinforcing overfitting, causing the policy to sharpen prematurely and suppress exploration. To address these issues, we propose Entropy Confidence Hybrid Group Relative Policy Optimization (ECHO). During rollout, ECHO jointly leverages local entropy and group level confidence to adaptively control branch width, and further introduces online confidence-based pruning to terminate persistently low confidence branches, avoiding high entropy traps and mitigating collapse. During policy updates, ECHO employs confidence adaptive clipping and an entropy confidence hybrid advantage shaping approach to enhance training robustness and mitigate early stage bias. Experiments demonstrate that ECHO achieves consistent gains on multiple mathematical and visual reasoning benchmarks, and generalizes more effectively under a limited rollout budget.

  • 5 authors
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Feb 1

COS(M+O)S: Curiosity and RL-Enhanced MCTS for Exploring Story Space via Language Models

We present COS(M+O)S, a System 2-inspired framework for open-ended plot development that systematically explores the vast space of possible story expansions, enabling a 3B-parameter language model to approach the plot quality of a 70B model on select short-story tasks. The method accomplishes this by combining Monte Carlo Tree Search (MCTS), guided by a step-level value model that rewards moderate surprisal (curiosity) while penalizing incoherence, and Odds Ratio Preference Optimization (ORPO) to fine-tune the policy on high-value plot expansions. This iterative reinforcement learning loop systematically explores multiple candidate plot branches, backpropagates quality signals, and adapts the policy for faster convergence, notably shifting the policy from puzzle-based Chain-of-Thought to more character-driven storytelling. In small-scale tests with short-story prompts, 67%-77% of participants favored COS(M+O)S's highest-rated expansions over lower-rated ones, suggesting that our learned value function aligns. GPT-4o ratings further show that COS(M+O)S surpasses naive single-pass decoding from Llama 3.2 3B by 0.59 SD, coming within 0.06 SD of Llama 3.1 70B (no significant difference, p=0.93). Pairwise comparisons with o1 place COS(M+O)S 1.5 SD above the 3B baseline and find no statistically significant gap from 70B. Nevertheless, absolute story quality remains modest, constrained by the small model's capacity and limited training data.

  • 1 authors
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Jan 28, 2025

Reaching Beyond the Mode: RL for Distributional Reasoning in Language Models

Given a question, a language model (LM) implicitly encodes a distribution over possible answers. In practice, post-training procedures for LMs often collapse this distribution onto a single dominant mode. While this is generally not a problem for benchmark-style evaluations that assume one correct answer, many real-world tasks inherently involve multiple valid answers or irreducible uncertainty. Examples include medical diagnosis, ambiguous question answering, and settings with incomplete information. In these cases, we would like LMs to generate multiple plausible hypotheses, ideally with confidence estimates for each one, and without computationally intensive repeated sampling to generate non-modal answers. This paper describes a multi-answer reinforcement learning approach for training LMs to perform distributional reasoning over multiple answers during inference. We modify the RL objective to enable models to explicitly generate multiple candidate answers in a single forward pass, internalizing aspects of inference-time search into the model's generative process. Across question-answering, medical diagnostic, and coding benchmarks, we observe improved diversity, coverage, and set-level calibration scores compared to single answer trained baselines. Models trained with our approach require fewer tokens to generate multiple answers than competing approaches. On coding tasks, they are also substantially more accurate. These results position multi-answer RL as a principled and compute-efficient alternative to inference-time scaling procedures such as best-of-k. Code and more information can be found at https://multi-answer-rl.github.io/.

Experience-Guided Adaptation of Inference-Time Reasoning Strategies

Enabling agentic AI systems to adapt their problem-solving approaches based on post-training interactions remains a fundamental challenge. While systems that update and maintain a memory at inference time have been proposed, existing designs only steer the system by modifying textual input to a language model or agent, which means that they cannot change sampling parameters, remove tools, modify system prompts, or switch between agentic and workflow paradigms. On the other hand, systems that adapt more flexibly require offline optimization and remain static once deployed. We present Experience-Guided Reasoner (EGuR), which generates tailored strategies -- complete computational procedures involving LLM calls, tools, sampling parameters, and control logic -- dynamically at inference time based on accumulated experience. We achieve this using an LLM-based meta-strategy -- a strategy that outputs strategies -- enabling adaptation of all strategy components (prompts, sampling parameters, tool configurations, and control logic). EGuR operates through two components: a Guide generates multiple candidate strategies conditioned on the current problem and structured memory of past experiences, while a Consolidator integrates execution feedback to improve future strategy generation. This produces complete, ready-to-run strategies optimized for each problem, which can be cached, retrieved, and executed as needed without wasting resources. Across five challenging benchmarks (AIME 2025, 3-SAT, and three Big Bench Extra Hard tasks), EGuR achieves up to 14% accuracy improvements over the strongest baselines while reducing computational costs by up to 111x, with both metrics improving as the system gains experience.

AWS Amazon Web Services
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Nov 14, 2025 2

Less Diverse, Less Safe: The Indirect But Pervasive Risk of Test-Time Scaling in Large Language Models

Test-Time Scaling (TTS) improves LLM reasoning by exploring multiple candidate responses and then operating over this set to find the best output. A tacit premise behind TTS is that sufficiently diverse candidate pools enhance reliability. In this work, we show that this assumption in TTS introduces a previously unrecognized failure mode. When candidate diversity is curtailed, even by a modest amount, TTS becomes much more likely to produce unsafe outputs. We present a reference-guided diversity reduction protocol (RefDiv) that serves as a diagnostic attack to stress test TTS pipelines. Through extensive experiments across open-source models (e.g. Qwen3, Mistral, Llama3.1, Gemma3) and two widely used TTS strategies (Monte Carlo Tree Search and Best-of-N), constraining diversity consistently signifies the rate at which TTS produces unsafe results. The effect is often stronger than that produced by prompts directly with high adversarial intent scores. This observed phenomenon also transfers across TTS strategies and to closed-source models (e.g. OpenAI o3-mini and Gemini-2.5-Pro), thus indicating that this is a general and extant property of TTS rather than a model-specific artifact. Additionally, we find that numerous widely used safety guardrail classifiers (e.g. Llama-Guard), are unable to flag the adversarial input prompts generated by RefDiv, demonstrating that existing defenses offer limited protection against this diversity-driven failure mode.

  • 4 authors
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May 8

Belief Memory: Agent Memory Under Partial Observability

LLM agents that operate over long context depend on external memory to accumulate knowledge over time. However, existing methods typically store each observation as a single deterministic conclusion (e.g., inferring "API~X failed" from temporary errors), even though such observations are inherently partial and potentially ambiguous. By committing to one conclusion and discarding uncertainty, these methods introduce self-reinforcing error: the agent acts on the stored conclusion, never revisits alternatives, and reinforces the conclusion over time. To address this issue, we propose BeliefMem, which shifts the memory paradigm from committing to a single conclusion per observation to retaining multiple candidate conclusions with their probabilities. Concretely, BeliefMem stores the candidate conclusions as separate memory entries, each carrying a probability that is updated via Noisy-OR rules as new observations arrive. At retrieval, all candidates surface together with their probabilities, keeping alternatives visible to the agent. Since each conclusion in memory retains its probability, BeliefMem preserves the uncertainty that the deterministic paradigm discards, enabling the agent to act with high confidence on well-evidenced knowledge while retaining the capacity to update its confidence when new evidence arrives. Empirical evaluations on LoCoMo and ALFWorld benchmarks show that, even with limited data, BeliefMem achieves the best average performance, remarkably outperforming well-known baselines. More broadly, such probabilistic memory produces substantial gains and explores a new direction for agent memory in partially observable environments.

  • 6 authors
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May 7

Goose: Anisotropic Speculation Trees for Training-Free Speculative Decoding

Speculative decoding accelerates large language model inference by drafting multiple candidate tokens and verifying them in a single forward pass. Candidates are organized as a tree: deeper trees accept more tokens per step, but adding depth requires sacrificing breadth (fallback options) under a fixed verification budget. Existing training-free methods draft from a single token source and shape their trees without distinguishing candidate quality across origins. We observe that two common training-free token sources - n-gram matches copied from the input context, and statistical predictions from prior forward passes - differ dramatically in acceptance rate (~6x median gap, range 2-18x across five models and five benchmarks). We prove that when such a quality gap exists, the optimal tree is anisotropic (asymmetric): reliable tokens should form a deep chain while unreliable tokens spread as wide branches, breaking through the depth limit of balanced trees. We realize this structure in GOOSE, a training-free framework that builds an adaptive spine tree - a deep chain of high-acceptance context-matched tokens with wide branches of low-acceptance alternatives at each node. We prove that the number of tokens accepted per step is at least as large as that of either source used alone. On five LLMs (7B-33B) and five benchmarks, GOOSE achieves 1.9-4.3x lossless speedup, outperforming balanced-tree baselines by 12-33% under the same budget.

  • 3 authors
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Apr 1

From Chains to Graphs: Self-Structured Reasoning for General-Domain LLMs

Large Language Models (LLMs) show strong reasoning ability in open-domain question answering, yet their reasoning processes are typically linear and often logically inconsistent. In contrast, real-world reasoning requires integrating multiple premises and solving subproblems in parallel. Existing methods, such as Chain-of-Thought (CoT), express reasoning in a linear textual form, which may appear coherent but frequently leads to inconsistent conclusions. Recent approaches rely on externally provided graphs and do not explore how LLMs can construct and use their own graph-structured reasoning, particularly in open-domain QA. To fill this gap, we novelly explore graph-structured reasoning of LLMs in general-domain question answering. We propose Self-Graph Reasoning (SGR), a framework that enables LLMs to explicitly represent their reasoning process as a structured graph before producing the final answer. We further construct a graph-structured reasoning dataset that merges multiple candidate reasoning graphs into refined graph structures for model training. Experiments on five QA benchmarks across both general and specialized domains show that SGR consistently improves reasoning consistency and yields a 17.74% gain over the base model. The LLaMA-3.3-70B model fine-tuned with SGR performs comparably to GPT-4o and surpasses Claude-3.5-Haiku, demonstrating the effectiveness of graph-structured reasoning.

  • 10 authors
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Jan 7

GTA1: GUI Test-time Scaling Agent

Graphical user interface (GUI) agents autonomously operate across platforms (e.g., Linux) to complete tasks by interacting with visual elements. Specifically, a user instruction is decomposed into a sequence of action proposals, each corresponding to an interaction with the GUI. After each action, the agent observes the updated GUI environment to plan the next step. However, two main challenges arise: i) resolving ambiguity in task planning (i.e., the action proposal sequence), where selecting an appropriate plan is non-trivial, as many valid ones may exist; ii) accurately grounding actions in complex and high-resolution interfaces, i.e., precisely interacting with visual targets. This paper investigates the two aforementioned challenges with our GUI Test-time Scaling Agent, namely GTA1. First, to select the most appropriate action proposal, we introduce a test-time scaling method. At each step, we sample multiple candidate action proposals and leverage a judge model to evaluate and select the most suitable one. It trades off computation for better decision quality by concurrent sampling, shortening task execution steps, and improving overall performance. Second, we propose a model that achieves improved accuracy when grounding the selected action proposal to its corresponding visual elements. Our key insight is that reinforcement learning (RL) facilitates visual grounding through inherent objective alignments, rewarding successful clicks on interface elements. Experimentally, our method establishes state-of-the-art performance across diverse benchmarks. For example, GTA1-7B achieves 50.1%, 92.4%, and 67.7% accuracies on Screenspot-Pro, Screenspot-V2, and OSWorld-G, respectively. When paired with a planner applying our test-time scaling strategy, it exhibits state-of-the-art agentic performance (e.g., 45.2% task success rate on OSWorld). We open-source our code and models here.

Visual Program Distillation: Distilling Tools and Programmatic Reasoning into Vision-Language Models

Solving complex visual tasks such as "Who invented the musical instrument on the right?" involves a composition of skills: understanding space, recognizing instruments, and also retrieving prior knowledge. Recent work shows promise by decomposing such tasks using a large language model (LLM) into an executable program that invokes specialized vision models. However, generated programs are error-prone: they omit necessary steps, include spurious ones, and are unable to recover when the specialized models give incorrect outputs. Moreover, they require loading multiple models, incurring high latency and computation costs. We propose Visual Program Distillation (VPD), an instruction tuning framework that produces a vision-language model (VLM) capable of solving complex visual tasks with a single forward pass. VPD distills the reasoning ability of LLMs by using them to sample multiple candidate programs, which are then executed and verified to identify a correct one. It translates each correct program into a language description of the reasoning steps, which are then distilled into a VLM. Extensive experiments show that VPD improves the VLM's ability to count, understand spatial relations, and reason compositionally. Our VPD-trained PaLI-X outperforms all prior VLMs, achieving state-of-the-art performance across complex vision tasks, including MMBench, OK-VQA, A-OKVQA, TallyQA, POPE, and Hateful Memes. An evaluation with human annotators also confirms that VPD improves model response factuality and consistency. Finally, experiments on content moderation demonstrate that VPD is also helpful for adaptation to real-world applications with limited data.

  • 8 authors
·
Dec 5, 2023

FABind: Fast and Accurate Protein-Ligand Binding

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this challenge, with sampling-based and regression-based methods emerging as two prominent approaches. However, these methods have notable limitations. Sampling-based methods often suffer from low efficiency due to the need for generating multiple candidate structures for selection. On the other hand, regression-based methods offer fast predictions but may experience decreased accuracy. Additionally, the variation in protein sizes often requires external modules for selecting suitable binding pockets, further impacting efficiency. In this work, we propose FABind, an end-to-end model that combines pocket prediction and docking to achieve accurate and fast protein-ligand binding. FABind incorporates a unique ligand-informed pocket prediction module, which is also leveraged for docking pose estimation. The model further enhances the docking process by incrementally integrating the predicted pocket to optimize protein-ligand binding, reducing discrepancies between training and inference. Through extensive experiments on benchmark datasets, our proposed FABind demonstrates strong advantages in terms of effectiveness and efficiency compared to existing methods. Our code is available at https://github.com/QizhiPei/FABind

  • 10 authors
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Oct 10, 2023