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Dec 9

Testing Neural Network Verifiers: A Soundness Benchmark with Hidden Counterexamples

In recent years, many neural network (NN) verifiers have been developed to formally verify certain properties of neural networks such as robustness. Although many benchmarks have been constructed to evaluate the performance of NN verifiers, they typically lack a ground-truth for hard instances where no current verifier can verify and no counterexample can be found, which makes it difficult to check the soundness of a new verifier if it claims to verify hard instances which no other verifier can do. We propose to develop a soundness benchmark for NN verification. Our benchmark contains instances with deliberately inserted counterexamples while we also try to hide the counterexamples from regular adversarial attacks which can be used for finding counterexamples. We design a training method to produce neural networks with such hidden counterexamples. Our benchmark aims to be used for testing the soundness of NN verifiers and identifying falsely claimed verifiability when it is known that hidden counterexamples exist. We systematically construct our benchmark and generate instances across diverse model architectures, activation functions, input sizes, and perturbation radii. We demonstrate that our benchmark successfully identifies bugs in state-of-the-art NN verifiers, as well as synthetic bugs, providing a crucial step toward enhancing the reliability of testing NN verifiers. Our code is available at https://github.com/MVP-Harry/SoundnessBench and our benchmark is available at https://huggingface.co/datasets/SoundnessBench/SoundnessBench.

  • 6 authors
·
Dec 4, 2024

DSO: Aligning 3D Generators with Simulation Feedback for Physical Soundness

Most 3D object generators focus on aesthetic quality, often neglecting physical constraints necessary in applications. One such constraint is that the 3D object should be self-supporting, i.e., remains balanced under gravity. Prior approaches to generating stable 3D objects used differentiable physics simulators to optimize geometry at test-time, which is slow, unstable, and prone to local optima. Inspired by the literature on aligning generative models to external feedback, we propose Direct Simulation Optimization (DSO), a framework to use the feedback from a (non-differentiable) simulator to increase the likelihood that the 3D generator outputs stable 3D objects directly. We construct a dataset of 3D objects labeled with a stability score obtained from the physics simulator. We can then fine-tune the 3D generator using the stability score as the alignment metric, via direct preference optimization (DPO) or direct reward optimization (DRO), a novel objective, which we introduce, to align diffusion models without requiring pairwise preferences. Our experiments show that the fine-tuned feed-forward generator, using either DPO or DRO objective, is much faster and more likely to produce stable objects than test-time optimization. Notably, the DSO framework works even without any ground-truth 3D objects for training, allowing the 3D generator to self-improve by automatically collecting simulation feedback on its own outputs.

  • 4 authors
·
Mar 28 2

SynCode: LLM Generation with Grammar Augmentation

LLMs are widely used in complex AI applications. These applications underscore the need for LLM outputs to adhere to a specific format, for their integration with other components in the systems. Typically the format rules e.g., for data serialization formats such as JSON, YAML, or Code in Programming Language are expressed as context-free grammar (CFG). Due to the hallucinations and unreliability of LLMs, instructing LLMs to adhere to specified syntax becomes an increasingly important challenge. We present SynCode, a novel framework for efficient and general syntactical decoding with LLMs, to address this challenge. SynCode leverages the CFG of a formal language, utilizing an offline-constructed efficient lookup table called DFA mask store based on the discrete finite automaton (DFA) of the language grammar terminals. We demonstrate SynCode's soundness and completeness given the CFG of the formal language, presenting its ability to retain syntactically valid tokens while rejecting invalid ones. SynCode seamlessly integrates with any language defined by CFG, as evidenced by experiments focusing on generating JSON, Python, and Go outputs. Our experiments evaluating the effectiveness of SynCode for JSON generation demonstrate that SynCode eliminates all syntax errors and significantly outperforms state-of-the-art baselines. Furthermore, our results underscore how SynCode significantly reduces 96.07% of syntax errors in generated Python and Go code, showcasing its substantial impact on enhancing syntactical precision in LLM generation. Our code is available at https://github.com/uiuc-focal-lab/syncode

  • 5 authors
·
Mar 3, 2024

Beyond Theorem Proving: Formulation, Framework and Benchmark for Formal Problem-Solving

As a seemingly self-explanatory task, problem-solving has been a significant component of science and engineering. However, a general yet concrete formulation of problem-solving itself is missing. With the recent development of AI-based problem-solving agents, the demand for process-level verifiability is rapidly increasing yet underexplored. To fill these gaps, we present a principled formulation of problem-solving as a deterministic Markov decision process; a novel framework, FPS (Formal Problem-Solving), which utilizes existing FTP (formal theorem proving) environments to perform process-verified problem-solving; and D-FPS (Deductive FPS), decoupling solving and answer verification for better human-alignment. The expressiveness, soundness and completeness of the frameworks are proven. We construct three benchmarks on problem-solving: FormalMath500, a formalization of a subset of the MATH500 benchmark; MiniF2F-Solving and PutnamBench-Solving, adaptations of FTP benchmarks MiniF2F and PutnamBench. For faithful, interpretable, and human-aligned evaluation, we propose RPE (Restricted Propositional Equivalence), a symbolic approach to determine the correctness of answers by formal verification. We evaluate four prevalent FTP models and two prompting methods as baselines, solving at most 23.77% of FormalMath500, 27.47% of MiniF2F-Solving, and 0.31% of PutnamBench-Solving.

What are the best systems? New perspectives on NLP Benchmarking

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

  • 4 authors
·
Feb 8, 2022

Datarus-R1: An Adaptive Multi-Step Reasoning LLM for Automated Data Analysis

We present Datarus-R1-14B, a 14 B-parameter open-weights language model fine-tuned from Qwen 2.5-14B-Instruct to act as a virtual data analyst and graduate-level problem solver. Datarus is trained not on isolated question-answer pairs but on full analytical trajectories including reasoning steps, code execution, error traces, self-corrections, and final conclusions, all captured in a ReAct-style notebook format spanning finance, medicine, numerical analysis, and other quantitative domains. Our training pipeline combines (i) a trajectory-centric synthetic data generator that yielded 144 000 tagged notebook episodes, (ii) a dual-reward framework blending a lightweight tag-based structural signal with a Hierarchical Reward Model (HRM) that scores both single-step soundness and end-to-end coherence, and (iii) a memory-optimized implementation of Group Relative Policy Optimization (GRPO) featuring KV-cache reuse, sequential generation, and reference-model sharding. A cosine curriculum smoothly shifts emphasis from structural fidelity to semantic depth, reducing the format collapse and verbosity that often plague RL-aligned LLMs. A central design choice in Datarus is it dual reasoning interface. In agentic mode the model produces ReAct-tagged steps that invoke Python tools to execute real code; in reflection mode it outputs compact Chain-of-Thought (CoT) traces delimited by <think> and <answer> tags. On demanding postgraduate-level problems, Datarus exhibits an "AHA-moment" pattern: it sketches hypotheses, revises them once or twice, and converges avoiding the circular, token-inflating loops common to contemporary systems. Across standard public benchmarks Datarus surpasses similar size models and even reaches the level of larger reasoning models such as QwQ-32B achieving up to 30% higher accuracy on AIME 2024/2025 and LiveCodeBench while emitting 18-49% fewer tokens per solution.

  • 2 authors
·
Aug 18

On the Diagram of Thought

We introduce Diagram of Thought (DoT), a framework that models iterative reasoning in large language models (LLMs) as the construction of a directed acyclic graph (DAG) within a single model. Unlike traditional approaches that represent reasoning as linear chains or trees, DoT organizes propositions, critiques, refinements, and verifications into a cohesive DAG structure, allowing the model to explore complex reasoning pathways while maintaining logical consistency. Each node in the diagram corresponds to a proposition that has been proposed, critiqued, refined, or verified, enabling the LLM to iteratively improve its reasoning through natural language feedback. By leveraging auto-regressive next-token prediction with role-specific tokens, DoT facilitates seamless transitions between proposing ideas and critically evaluating them, providing richer feedback than binary signals. Furthermore, we formalize the DoT framework using Topos Theory, providing a mathematical foundation that ensures logical consistency and soundness in the reasoning process. This approach enhances both the training and inference processes within a single LLM, eliminating the need for multiple models or external control mechanisms. DoT offers a conceptual framework for designing next-generation reasoning-specialized models, emphasizing training efficiency, robust reasoning capabilities, and theoretical grounding. The code is available at https://github.com/diagram-of-thought/diagram-of-thought.

  • 3 authors
·
Sep 16, 2024 2

ResearchRubrics: A Benchmark of Prompts and Rubrics For Evaluating Deep Research Agents

Deep Research (DR) is an emerging agent application that leverages large language models (LLMs) to address open-ended queries. It requires the integration of several capabilities, including multi-step reasoning, cross-document synthesis, and the generation of evidence-backed, long-form answers. Evaluating DR remains challenging because responses are lengthy and diverse, admit many valid solutions, and often depend on dynamic information sources. We introduce ResearchRubrics, a standardized benchmark for DR built with over 2,800+ hours of human labor that pairs realistic, domain-diverse prompts with 2,500+ expert-written, fine-grained rubrics to assess factual grounding, reasoning soundness, and clarity. We also propose a new complexity framework for categorizing DR tasks along three axes: conceptual breadth, logical nesting, and exploration. In addition, we develop human and model-based evaluation protocols that measure rubric adherence for DR agents. We evaluate several state-of-the-art DR systems and find that even leading agents like Gemini's DR and OpenAI's DR achieve under 68% average compliance with our rubrics, primarily due to missed implicit context and inadequate reasoning about retrieved information. Our results highlight the need for robust, scalable assessment of deep research capabilities, to which end we release ResearchRubrics(including all prompts, rubrics, and evaluation code) to facilitate progress toward well-justified research assistants.

ScaleAI Scale AI
·
Nov 10 4

Large Language Models for Scientific Idea Generation: A Creativity-Centered Survey

Scientific idea generation lies at the heart of scientific discovery and has driven human progress-whether by solving unsolved problems or proposing novel hypotheses to explain unknown phenomena. Unlike standard scientific reasoning or general creative generation, idea generation in science is a multi-objective and open-ended task, where the novelty of a contribution is as essential as its empirical soundness. Large language models (LLMs) have recently emerged as promising generators of scientific ideas, capable of producing coherent and factual outputs with surprising intuition and acceptable reasoning, yet their creative capacity remains inconsistent and poorly understood. This survey provides a structured synthesis of methods for LLM-driven scientific ideation, examining how different approaches balance creativity with scientific soundness. We categorize existing methods into five complementary families: External knowledge augmentation, Prompt-based distributional steering, Inference-time scaling, Multi-agent collaboration, and Parameter-level adaptation. To interpret their contributions, we employ two complementary frameworks: Boden's taxonomy of Combinatorial, Exploratory and Transformational creativity to characterize the level of ideas each family expected to generate, and Rhodes' 4Ps framework-Person, Process, Press, and Product-to locate the aspect or source of creativity that each method emphasizes. By aligning methodological advances with creativity frameworks, this survey clarifies the state of the field and outlines key directions toward reliable, systematic, and transformative applications of LLMs in scientific discovery.

Shaping Explanations: Semantic Reward Modeling with Encoder-Only Transformers for GRPO

While Large Language Models (LLMs) excel at generating human-like text, aligning their outputs with complex, qualitative goals like pedagogical soundness remains a significant challenge. Standard reinforcement learning techniques often rely on slow and expensive LLM-as-a-judge evaluations or on brittle, keyword-based metrics like ROUGE, which fail to capture the semantic essence of a high-quality explanation. In this work, we introduce a novel approach to reward shaping within the Group Relative Policy Optimisation (GRPO) framework. Our central contribution is the use of a small, efficient encoder-only transformer as a semantic reward model. This model provides a dense, semantically rich reward signal based on the cosine similarity between a generated explanation and a ground-truth reference, guiding the policy towards explanations that are not just factually correct but also structurally and conceptually aligned with expert reasoning. We apply this method to the task of training a model for the Italian medical-school entrance examinations, following standard domain-adaptive continued pre-training (CPT) and supervised fine-tuning (SFT). Our results demonstrate that GRPO with our proposed semantic reward significantly improves explanation faithfulness and clarity over a strong SFT baseline, showcasing the power of using lightweight encoder models for nuanced reward shaping in complex generation tasks

  • 5 authors
·
Sep 16

AIssistant: An Agentic Approach for Human--AI Collaborative Scientific Work on Reviews and Perspectives in Machine Learning

Advances in AI-assisted research have introduced powerful tools for literature retrieval, hypothesis generation, experimentation, and manuscript preparation. However, systems remain fragmented and lack human-centred workflows. To address these gaps, we introduce AIssistant, an agentic, open-source Human-AI collaborative framework designed to simplify the end-to-end creation of scientific workflows. Since our development is still in an early stage, we present here the first experiments with AIssistant for perspective and review research papers in machine learning. Our system integrates modular tools and agents for literature synthesis, section-wise experimentation, citation management, and automatic LaTeX paper text generation, while maintaining human oversight at every stage to ensure accuracy, coherence, and scholarly rigour. We conducted a comprehensive evaluation across three layers: (1) Independent Human Review, following NeurIPS double-blind standards; (2) Automated LLM Review, using GPT-5 as a scalable human review proxy; and (3) Program Chair Oversight, where the chair monitors the entire review process and makes final validation and acceptance decisions. The results demonstrate that AIssistant improves drafting efficiency and thematic consistency. Nonetheless, Human-AI collaboration remains essential for maintaining factual correctness, methodological soundness, and ethical compliance. Despite its effectiveness, we identify key limitations, including hallucinated citations, difficulty adapting to dynamic paper structures, and incomplete integration of multimodal content.

  • 4 authors
·
Sep 14

ViLaD: A Large Vision Language Diffusion Framework for End-to-End Autonomous Driving

End-to-end autonomous driving systems built on Vision Language Models (VLMs) have shown significant promise, yet their reliance on autoregressive architectures introduces some limitations for real-world applications. The sequential, token-by-token generation process of these models results in high inference latency and cannot perform bidirectional reasoning, making them unsuitable for dynamic, safety-critical environments. To overcome these challenges, we introduce ViLaD, a novel Large Vision Language Diffusion (LVLD) framework for end-to-end autonomous driving that represents a paradigm shift. ViLaD leverages a masked diffusion model that enables parallel generation of entire driving decision sequences, significantly reducing computational latency. Moreover, its architecture supports bidirectional reasoning, allowing the model to consider both past and future simultaneously, and supports progressive easy-first generation to iteratively improve decision quality. We conduct comprehensive experiments on the nuScenes dataset, where ViLaD outperforms state-of-the-art autoregressive VLM baselines in both planning accuracy and inference speed, while achieving a near-zero failure rate. Furthermore, we demonstrate the framework's practical viability through a real-world deployment on an autonomous vehicle for an interactive parking task, confirming its effectiveness and soundness for practical applications.

  • 9 authors
·
Aug 18

DRoPE: Directional Rotary Position Embedding for Efficient Agent Interaction Modeling

Accurate and efficient modeling of agent interactions is essential for trajectory generation, the core of autonomous driving systems. Existing methods, scene-centric, agent-centric, and query-centric frameworks, each present distinct advantages and drawbacks, creating an impossible triangle among accuracy, computational time, and memory efficiency. To break this limitation, we propose Directional Rotary Position Embedding (DRoPE), a novel adaptation of Rotary Position Embedding (RoPE), originally developed in natural language processing. Unlike traditional relative position embedding (RPE), which introduces significant space complexity, RoPE efficiently encodes relative positions without explicitly increasing complexity but faces inherent limitations in handling angular information due to periodicity. DRoPE overcomes this limitation by introducing a uniform identity scalar into RoPE's 2D rotary transformation, aligning rotation angles with realistic agent headings to naturally encode relative angular information. We theoretically analyze DRoPE's correctness and efficiency, demonstrating its capability to simultaneously optimize trajectory generation accuracy, time complexity, and space complexity. Empirical evaluations compared with various state-of-the-art trajectory generation models, confirm DRoPE's good performance and significantly reduced space complexity, indicating both theoretical soundness and practical effectiveness. The video documentation is available at https://drope-traj.github.io/.

  • 10 authors
·
Mar 19

MLE-Smith: Scaling MLE Tasks with Automated Multi-Agent Pipeline

While Language Models (LMs) have made significant progress in automating machine learning engineering (MLE), the acquisition of high-quality MLE training data is significantly constrained. Current MLE benchmarks suffer from low scalability and limited applicability because they rely on static, manually curated tasks, demanding extensive time and manual effort to produce. We introduce MLE-Smith, a fully automated multi-agent pipeline, to transform raw datasets into competition-style MLE challenges through an efficient generate-verify-execute paradigm for scaling MLE tasks with verifiable quality, real-world usability, and rich diversity. The proposed multi-agent pipeline in MLE-Smith drives structured task design and standardized refactoring, coupled with a hybrid verification mechanism that enforces strict structural rules and high-level semantic soundness. It further validates empirical solvability and real-world fidelity through interactive execution. We apply MLE-Smith to 224 of real-world datasets and generate 606 tasks spanning multiple categories, objectives, and modalities, demonstrating that MLE-Smith can work effectively across a wide range of real-world datasets. Evaluation on the generated tasks shows that the performance of eight mainstream and cutting-edge LLMs on MLE-Smith tasks is strongly correlated with their performance on carefully human-designed tasks, highlighting the effectiveness of the MLE-Smith to scaling up MLE tasks, while maintaining task quality.

MLE-Dojo MLE-Dojo
·
Oct 8 2

GM-PRM: A Generative Multimodal Process Reward Model for Multimodal Mathematical Reasoning

Multimodal Large Language Models (MLLMs) demonstrate remarkable capabilities but often struggle with complex, multi-step mathematical reasoning, where minor errors in visual perception or logical deduction can lead to complete failure. While Process Reward Models (PRMs) offer step-by-step supervision, existing multimodal PRMs are limited to being binary verifiers that can identify but not correct errors, offering little explanatory power. To address these deficiencies, we introduce the Generative Multimodal Process Reward Model (GM-PRM), a novel paradigm that transforms the PRM from a passive judge into an active reasoning collaborator. Instead of a simple scalar score, GM-PRM provides a fine-grained, interpretable analysis of each reasoning step, evaluating its step intent, visual alignment, and logical soundness. More critically, GM-PRM is trained to generate a corrected version of the first erroneous step it identifies. This unique corrective capability enables our new test-time inference strategy, Refined Best-of-N (Refined-BoN). This framework actively enhances solution quality by using the PRM's generated correction to guide the policy model toward a more promising reasoning trajectory, thereby improving the diversity and correctness of the solution pool. We demonstrate that GM-PRM achieves state-of-the-art results on multiple multimodal math benchmarks, significantly boosting policy model performance with remarkable data efficiency, requiring only a 20K-sample training dataset. Our code will be released upon acceptance.

  • 6 authors
·
Aug 6

SCULPTOR: Skeleton-Consistent Face Creation Using a Learned Parametric Generator

Recent years have seen growing interest in 3D human faces modelling due to its wide applications in digital human, character generation and animation. Existing approaches overwhelmingly emphasized on modeling the exterior shapes, textures and skin properties of faces, ignoring the inherent correlation between inner skeletal structures and appearance. In this paper, we present SCULPTOR, 3D face creations with Skeleton Consistency Using a Learned Parametric facial generaTOR, aiming to facilitate easy creation of both anatomically correct and visually convincing face models via a hybrid parametric-physical representation. At the core of SCULPTOR is LUCY, the first large-scale shape-skeleton face dataset in collaboration with plastic surgeons. Named after the fossils of one of the oldest known human ancestors, our LUCY dataset contains high-quality Computed Tomography (CT) scans of the complete human head before and after orthognathic surgeries, critical for evaluating surgery results. LUCY consists of 144 scans of 72 subjects (31 male and 41 female) where each subject has two CT scans taken pre- and post-orthognathic operations. Based on our LUCY dataset, we learn a novel skeleton consistent parametric facial generator, SCULPTOR, which can create the unique and nuanced facial features that help define a character and at the same time maintain physiological soundness. Our SCULPTOR jointly models the skull, face geometry and face appearance under a unified data-driven framework, by separating the depiction of a 3D face into shape blend shape, pose blend shape and facial expression blend shape. SCULPTOR preserves both anatomic correctness and visual realism in facial generation tasks compared with existing methods. Finally, we showcase the robustness and effectiveness of SCULPTOR in various fancy applications unseen before.

  • 11 authors
·
Sep 14, 2022

ReFIne: A Framework for Trustworthy Large Reasoning Models with Reliability, Faithfulness, and Interpretability

Recent advances in long chain-of-thought (CoT) reasoning have largely prioritized answer accuracy and token efficiency, while overlooking aspects critical to trustworthiness. We argue that usable reasoning systems must be trustworthy, characterized by three properties: interpretability, faithfulness, and reliability. To this end, we propose ReFIne, a new training framework that integrates supervised fine-tuning with GRPO to encourage models to: (i) improve interpretability by producing structured, tag-based traces with high-level planning that are easier for humans to follow; (ii) enhance faithfulness by explicitly disclosing the decisive information guiding each solution, with consistent cross-section references; and (iii) promote reliability by providing self-assessments of both the derivation's soundness and the confidence of the final answer. We apply ReFIne to the Qwen3 models at multiple scales (1.7B/4B/8B) and evaluate across mathematical benchmarks of varying difficulty. Our experimental results show that ReFIne models generate clearer and better-structured reasoning traces (interpretability +44.0%), more faithfully expose their underlying decision process (faithfulness +18.8%), and offer informative confidence estimates (reliability +42.4%). These findings highlight an overlooked but important direction: reasoning models should be optimized not only for accuracy, but also for broader dimensions of trustworthiness. Our code is available at: https://github.com/Trustworthy-ML-Lab/Training_Trustworthy_LRM_with_Refine

  • 4 authors
·
Oct 10 2

Synthesis of Sound and Precise Leakage Contracts for Open-Source RISC-V Processors

Leakage contracts have been proposed as a new security abstraction at the instruction set architecture level. Leakage contracts aim to capture the information that processors may leak via microarchitectural side channels. Recently, the first tools have emerged to verify whether a processor satisfies a given contract. However, coming up with a contract that is both sound and precise for a given processor is challenging, time-consuming, and error-prone, as it requires in-depth knowledge of the timing side channels introduced by microarchitectural optimizations. In this paper, we address this challenge by proposing LeaSyn, the first tool for automatically synthesizing leakage contracts that are both sound and precise for processor designs at register-transfer level. Starting from a user-provided contract template that captures the space of possible contracts, LeaSyn automatically constructs a contract, alternating between contract synthesis, which ensures precision based on an empirical characterization of the processor's leaks, and contract verification, which ensures soundness. Using LeaSyn, we automatically synthesize contracts for six open-source RISC-V CPUs for a variety of contract templates. Our experiments indicate that LeaSyn's contracts are sound and more precise (i.e., represent the actual leaks in the target processor more faithfully) than contracts constructed by existing approaches.

  • 5 authors
·
Sep 8