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Jun 12

Qiskit QuantumKatas: Adapting Microsoft's Quantum Computing exercises for LLM evaluation

We adapt Microsoft's QuantumKatas -- a well-established quantum computing curriculum -- from Q# to Qiskit, the most widely-adopted quantum computing framework, and package it with an evaluation framework for systematic LLM assessment. The resulting benchmark comprises 350 tasks across 26 categories, spanning fundamental gates through advanced algorithms (Grover's, Simon's, Deutsch-Jozsa), error correction, key distribution, and quantum games. Each task includes a natural language prompt, canonical solution, and deterministic test verification via classical circuit simulation. By building on the QuantumKatas' proven pedagogical design rather than creating tasks from scratch, we inherit a principled difficulty progression and comprehensive concept coverage while contributing the framework adaptation, evaluation infrastructure, and empirical analysis. We evaluate 16 LLMs across 7 prompting configurations -- a total of 39,200 model runs -- to demonstrate the benchmark's utility. Three key findings emerge: (1) the benchmark effectively differentiates model capabilities, with best-configuration pass rates ranging from 32.3% to 83.1% and a 26.1 pp average gap between frontier and open-source models; (2) models perform well at implementing known algorithms (SimonsAlgorithm 82.1%, BasicGates 81.6%) but struggle with problem encoding (SolveSATWithGrover 34.4%, DistinguishUnitaries 40.0%); and (3) chain-of-thought prompting shows a modestly bimodal effect -- it is the best strategy for three models (two of them explicitly reasoning-tuned per vendor documentation) but degrades performance for the rest, leaving it mid-pack in aggregate (56.3% mean) behind few-shot-5 (57.8%). We release the benchmark, evaluation framework, and baseline results to support research on LLM capabilities in quantum computing.

  • 2 authors
·
May 25

A Comparative Study of Quantum Optimization Techniques for Solving Combinatorial Optimization Benchmark Problems

Quantum optimization holds promise for addressing classically intractable combinatorial problems, yet a standardized framework for benchmarking its performance, particularly in terms of solution quality, computational speed, and scalability is still lacking. In this work, we introduce a comprehensive benchmarking framework designed to systematically evaluate a range of quantum optimization techniques against well-established NP-hard combinatorial problems. Our framework focuses on key problem classes, including the Multi-Dimensional Knapsack Problem (MDKP), Maximum Independent Set (MIS), Quadratic Assignment Problem (QAP), and Market Share Problem (MSP). Our study evaluates gate-based quantum approaches, including the Variational Quantum Eigensolver (VQE) and its CVaR-enhanced variant, alongside advanced quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and its extensions. To address resource constraints, we incorporate qubit compression techniques like Pauli Correlation Encoding (PCE) and Quantum Random Access Optimization (QRAO). Experimental results, obtained from simulated quantum environments and classical solvers, provide key insights into feasibility, optimality gaps, and scalability. Our findings highlight both the promise and current limitations of quantum optimization, offering a structured pathway for future research and practical applications in quantum-enhanced decision-making.

  • 2 authors
·
Mar 15, 2025

Benchmarking Neural Network Training Algorithms

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

  • 25 authors
·
Jun 12, 2023 1

Cutting Slack: Quantum Optimization with Slack-Free Methods for Combinatorial Benchmarks

Constraint handling remains a key bottleneck in quantum combinatorial optimization. While slack-variable-based encodings are straightforward, they significantly increase qubit counts and circuit depth, challenging the scalability of quantum solvers. In this work, we investigate a suite of Lagrangian-based optimization techniques including dual ascent, bundle methods, cutting plane approaches, and augmented Lagrangian formulations for solving constrained combinatorial problems on quantum simulators and hardware. Our framework is applied to three representative NP-hard problems: the Travelling Salesman Problem (TSP), the Multi-Dimensional Knapsack Problem (MDKP), and the Maximum Independent Set (MIS). We demonstrate that MDKP and TSP, with their inequality-based or degree-constrained structures, allow for slack-free reformulations, leading to significant qubit savings without compromising performance. In contrast, MIS does not inherently benefit from slack elimination but still gains in feasibility and objective quality from principled Lagrangian updates. We benchmark these methods across classically hard instances, analyzing trade-offs in qubit usage, feasibility, and optimality gaps. Our results highlight the flexibility of Lagrangian formulations as a scalable alternative to naive QUBO penalization, even when qubit savings are not always achievable. This work provides practical insights for deploying constraint-aware quantum optimization pipelines, with applications in logistics, network design, and resource allocation.

  • 2 authors
·
Jul 16, 2025

TaoBench: Do Automated Theorem Prover LLMs Generalize Beyond MathLib?

Automated theorem proving (ATP) benchmarks largely consist of problems formalized in MathLib, so current ATP training and evaluation are heavily biased toward MathLib's definitional framework. However, frontier mathematics is often exploratory and prototype-heavy, relying on bespoke constructions that deviate from standard libraries. In this work, we evaluate the robustness of current ATP systems when applied to a novel definitional framework, specifically examining the performance gap between standard library problems and bespoke mathematical constructions. We introduce TaoBench, an undergraduate-level benchmark derived from Terence Tao's Analysis I, which formalizes analysis by constructing core mathematical concepts from scratch, without relying on standard Mathlib definitions, as well as by mixing from-scratch and MathLib constructions. For fair evaluation, we build an agentic pipeline that automatically extracts a compilable, self-contained local environment for each problem. To isolate the effect of definitional frameworks, we additionally translate every problem into a mathematically equivalent Mathlib formulation, yielding paired TaoBench-Mathlib statements for direct comparison. While state-of-the-art ATP models perform capably within the MathLib framework, performance drops by an average of roughly 26% on the definitionally equivalent Tao formulation. This indicates that the main bottleneck is limited generalization across definitional frameworks rather than task difficulty. TaoBench thus highlights a gap between benchmark performance and applicability, and provides a concrete foundation for developing and testing provers better aligned with research mathematics.

  • 13 authors
·
Mar 13

Pythagoras-Prover: Advancing Efficient Formal Proving via Augmented Lean Formalisation

Modern Lean theorem provers achieve strong performance only with substantial training and inference compute, driven in part by scarce verified proof data and the long reasoning traces of formal proof search, making both supervised fine-tuning (SFT) and sampling expensive. We introduce Pythagoras-Prover, a compute-efficient open-source family of Lean theorem provers built for practical compute budgets. The family spans two generation paradigms: autoregressive models at 4B and 32B parameters, and a first proof-of-concept diffusion-based prover (4B) that iteratively refines Lean proofs at inference time. For training efficiency, we build a Lean-verified corpus stratified into easy, medium, and hard problems for curriculum SFT, so models acquire proof skills progressively from shorter, simpler proofs to longer, harder ones. During SFT, a dynamic proof-reasoning filtering scheme preserves informative proof traces while keeping each instance within an 8k-token context budget. We also introduce Augmented Lean Formalisation (ALF), which expands scarce verified corpora into variants of formal statements, populated via self-distillation for extra training signal without formally verifying every mutated instance. By perturbing known problems while preserving their formal character, ALF reduces reliance on any statement's surface form. Empirically, Pythagoras-Prover-4B surpasses DeepSeek-Prover-V2-671B at pass@32 on MiniF2F-Test (86.1% vs 82.4%) with ~167x fewer parameters, while Pythagoras-Prover-32B sets the open-source state of the art at 93.0% on MiniF2F-Test and solves 93 of 672 PutnamBench problems. We release MiniF2F-ALF, an ALF-mutated contamination-sensitive benchmark on which every evaluated model loses accuracy; here our 32B remains strongest and our 4B matches the prior state of the art, Goedel-Prover-V2-32B.

  • 8 authors
·
Jun 9

STEPWISE-CODEX-Bench: Evaluating Complex Multi-Function Comprehension and Fine-Grained Execution Reasoning

In recent years, large language models (LLMs) have made significant progress in code intelligence, yet systematically evaluating their code understanding and reasoning abilities remains challenging. Mainstream benchmarks such as HumanEval and MBPP primarily assess functional correctness, while reasoning benchmarks like CRUXEVAL are limited to single-function, low-complexity scenarios. As a result, advanced models achieve nearly saturated scores, limiting their discriminative power. To address this, we present STEPWISE-CODEX-Bench (SX-Bench), a novel benchmark designed for complex multi-function understanding and fine-grained execution reasoning. SX-Bench features tasks involving collaboration among multiple sub-functions (e.g., chained calls, nested loops), shifting evaluation towards overall control and data flow modeling. It defines "computation steps" as the minimal execution unit and requires models to predict the total number of steps in reasoning tasks, thereby assessing a model's in-depth understanding of dynamic execution beyond simple I/O matching. Evaluation on over 20 mainstream models (including 14 reasoning-enhanced models) demonstrates that SX-Bench is highly discriminative: even the state-of-the-art OpenAI-O3 achieves only 78.37 percent accuracy on Hard-Reasoning tasks, much lower than its saturated scores on previous benchmarks, thereby revealing bottlenecks in complex and fine-grained reasoning. We also release an automated pipeline combining program synthesis, symbolic execution, and LLM-aided validation for efficient benchmark generation and quality assurance. SX-Bench advances code evaluation from "single-function verification" to "multi-function dynamic reasoning," providing a key tool for the in-depth assessment of advanced code intelligence models.

  • 6 authors
·
Aug 7, 2025

JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with both perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC) and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data-points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard

  • 38 authors
·
Jun 20, 2023

TwinRouterBench: Fast Static and Live Dynamic Evaluation for Realistic Agentic LLM Routing

LLM routing matters most in long-horizon applications such as coding agents, deep research systems, and computer-use agents, where a single user request triggers many model calls. Routing each call to the cheapest sufficient model can cut costs without sacrificing quality, yet existing router benchmarks evaluate routers only on one-shot prompts. They never expose the router-visible prefix at an intermediate agent step, never test whether a cheaper replacement preserves downstream task success, and often rely on online LLM judges at evaluation time. We introduce TwinRouterBench, a step-level routing benchmark with two tracks. The static track provides 970 router-visible prefixes from 520 instances across SWE-bench, BFCL, mtRAG, QMSum, and PinchBench, each paired with an execution-verified target tier estimated under a released downgrade-and-cascade protocol; scoring is deterministic arithmetic over tier labels, trajectory membership, and token costs, with no online evaluator-side LLM judge. The dynamic track supplies a harness that runs routers on the full 500-case SWE-bench Verified suite; in this paper we report a 100-case held-out evaluation disjoint from the static SWE supervision split. At each LLM call the router selects a concrete model from a locked pool, and success is measured by official task resolution and realized API spend. The two tracks support fast offline iteration followed by end-to-end validation under live agent execution. Code and data are available at https://github.com/CommonstackAI/TwinRouterBench.

  • 17 authors
·
May 13

KetGPT - Dataset Augmentation of Quantum Circuits using Transformers

Quantum algorithms, represented as quantum circuits, can be used as benchmarks for assessing the performance of quantum systems. Existing datasets, widely utilized in the field, suffer from limitations in size and versatility, leading researchers to employ randomly generated circuits. Random circuits are, however, not representative benchmarks as they lack the inherent properties of real quantum algorithms for which the quantum systems are manufactured. This shortage of `useful' quantum benchmarks poses a challenge to advancing the development and comparison of quantum compilers and hardware. This research aims to enhance the existing quantum circuit datasets by generating what we refer to as `realistic-looking' circuits by employing the Transformer machine learning architecture. For this purpose, we introduce KetGPT, a tool that generates synthetic circuits in OpenQASM language, whose structure is based on quantum circuits derived from existing quantum algorithms and follows the typical patterns of human-written algorithm-based code (e.g., order of gates and qubits). Our three-fold verification process, involving manual inspection and Qiskit framework execution, transformer-based classification, and structural analysis, demonstrates the efficacy of KetGPT in producing large amounts of additional circuits that closely align with algorithm-based structures. Beyond benchmarking, we envision KetGPT contributing substantially to AI-driven quantum compilers and systems.

  • 4 authors
·
Feb 20, 2024

Metal-Sci: A Scientific Compute Benchmark for Evolutionary LLM Kernel Search on Apple Silicon

We present Metal-Sci, a 10-task benchmark of scientific Apple Silicon Metal compute kernels spanning six optimization regimes (stencils, all-pairs in n-body problems, multi-field Boltzmann, neighbor-list molecular dynamics, multi-kernel PDE, FFT). Each task ships a CPU reference, a roofline-anchored fitness function, and a held-out generalization size. We pair the benchmark with a lightweight harness for automatic kernel search that runtime-compiles each candidate, scores it against the roofline across multiple sizes, and feeds structured compile and per-size correctness diagnostics back to a frozen LLM driving a (1{+}1) evolutionary loop. We report matched single-model sweeps of Claude Opus 4.7, Gemini 3.1 Pro, and GPT 5.5 on M1 Pro: in-distribution self-speedups span 1.00times to 10.7times. Beyond raw speedup, our central methodological claim is structural: the held-out gate scoring function Φ_T (evaluated once at end-of-run on a configuration the agent never sees during search) functions as a cheap mechanical oversight primitive on this automatic search loop, catching e.g. an Opus template <uint D> HMC win that returns wrong samples at unseen dimensions, and a GPT FFT3D best that wins in-distribution at 2.95times speedup but collapses to 0.23times on a 256^3 held-out cube, a silent regression that the in-distribution score alone cannot see. Code at https://github.com/vicgalle/metal-sci-kernels

  • 1 authors
·
May 9 1

Adaptive Graph Shrinking for Quantum Optimization of Constrained Combinatorial Problems

A range of quantum algorithms, especially those leveraging variational parameterization and circuit-based optimization, are being studied as alternatives for solving classically intractable combinatorial optimization problems (COPs). However, their applicability is limited by hardware constraints, including shallow circuit depth, limited qubit counts, and noise. To mitigate these issues, we propose a hybrid classical--quantum framework based on graph shrinking to reduce the number of variables and constraints in QUBO formulations of COPs, while preserving problem structure. Our approach introduces three key ideas: (i) constraint-aware shrinking that prevents merges that will likely violate problem-specific feasibility constraints, (ii) a verification-and-repair pipeline to correct infeasible solutions post-optimization, and (iii) adaptive strategies for recalculating correlations and controlling the graph shrinking process. We apply our approach to three standard benchmark problems: Multidimensional Knapsack (MDKP), Maximum Independent Set (MIS), and the Quadratic Assignment Problem (QAP). Empirical results show that our approach improves solution feasibility, reduces repair complexity, and enhances quantum optimization quality on hardware-limited instances. These findings demonstrate a scalable pathway for applying near-term quantum algorithms to classically challenging constrained optimization problems.

  • 2 authors
·
Jun 17, 2025

HWE-Bench: Benchmarking LLM Agents on Real-World Hardware Bug Repair Tasks

Existing benchmarks for hardware design primarily evaluate Large Language Models (LLMs) on isolated, component-level tasks such as generating HDL modules from specifications, leaving repository-scale evaluation unaddressed. We introduce HWE-Bench, the first large-scale, repository-level benchmark for evaluating LLM agents on real-world hardware bug repair tasks. HWE-Bench comprises 417 task instances derived from real historical bug-fix pull requests across six major open-source projects spanning both Verilog/SystemVerilog and Chisel, covering RISC-V cores, SoCs, and security roots-of-trust. Each task is grounded in a fully containerized environment where the agent must resolve a real bug report, with correctness validated through the project's native simulation and regression flows. The benchmark is built through a largely automated pipeline that enables efficient expansion to new repositories. We evaluate seven LLMs with four agent frameworks and find that the best agent resolves 70.7% of tasks overall, with performance exceeding 90% on smaller cores but dropping below 65% on complex SoC-level projects. We observe larger performance gaps across models than commonly reported on software benchmarks, and difficulty is driven by project scope and bug-type distribution rather than code size alone. Our failure analysis traces agent failures to three stages of the debugging process: fault localization, hardware-semantic reasoning, and cross-artifact coordination across RTL, configuration, and verification components, providing concrete directions for developing more capable hardware-aware agents.

  • 5 authors
·
Apr 15

Decompile-Bench: Million-Scale Binary-Source Function Pairs for Real-World Binary Decompilation

Recent advances in LLM-based decompilers have been shown effective to convert low-level binaries into human-readable source code. However, there still lacks a comprehensive benchmark that provides large-scale binary-source function pairs, which is critical for advancing the LLM decompilation technology. Creating accurate binary-source mappings incurs severe issues caused by complex compilation settings and widespread function inlining that obscure the correspondence between binaries and their original source code. Previous efforts have either relied on used contest-style benchmarks, synthetic binary-source mappings that diverge significantly from the mappings in real world, or partially matched binaries with only code lines or variable names, compromising the effectiveness of analyzing the binary functionality. To alleviate these issues, we introduce Decompile-Bench, the first open-source dataset comprising two million binary-source function pairs condensed from 100 million collected function pairs, i.e., 450GB of binaries compiled from permissively licensed GitHub projects. For the evaluation purposes, we also developed a benchmark Decompile-Bench-Eval including manually crafted binaries from the well-established HumanEval and MBPP, alongside the compiled GitHub repositories released after 2025 to mitigate data leakage issues. We further explore commonly-used evaluation metrics to provide a thorough assessment of the studied LLM decompilers and find that fine-tuning with Decompile-Bench causes a 20% improvement over previous benchmarks in terms of the re-executability rate. Our code and data has been released in HuggingFace and Github. https://github.com/albertan017/LLM4Decompile

  • 9 authors
·
May 18, 2025

ONEBench to Test Them All: Sample-Level Benchmarking Over Open-Ended Capabilities

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

  • 6 authors
·
Dec 9, 2024 2

miniF2F-Lean Revisited: Reviewing Limitations and Charting a Path Forward

We perform a thorough analysis of the formal and informal statements in the miniF2F benchmark from the perspective of an AI system that is tasked to participate in a math Olympiad consisting of the problems in miniF2F. In such setting, the model has to read and comprehend the problems in natural language, formalize them in Lean language, then proceed with proving the problems, and it will get credit for each problem if the formal proof corresponds to the original informal statement presented to the model. Our evaluation results reveal that the best accuracy of such pipeline can be about 36% using the SoTA models in the literature, considerably lower than the individual SoTA accuracies, 97% and 69% reported in the autoformalization and theorem proving literature. Analyzing the failure modes, we trace back a considerable portion of this drop to discrepancies between the formal and informal statements for more than half of the problems in miniF2F. We proceed with correcting all the errors, discrepancies and simplifications in formal and informal statements, and present the miniF2F-v2 with fully verified formal and informal statements and proofs. Evaluating the full theorem proving pipeline on miniF2F-v2 leads to the best accuracy of 70%, a significant improvement from the 40% on the original miniF2F, yet indicating considerable misalignment between the autoformalization models and theorem provers. Our deep analysis suggests that a higher quality benchmark can help the community better evaluate progress in the field of formal reasoning and also better diagnose the failure and success modes of autoformalization and theorem proving models. Our dataset is available at https://github.com/roozbeh-yz/miniF2F_v2.

  • 3 authors
·
Nov 4, 2025 2

Top Leaderboard Ranking = Top Coding Proficiency, Always? EvoEval: Evolving Coding Benchmarks via LLM

LLMs have become the go-to choice for code generation tasks, with an exponential increase in the training, development, and usage of LLMs specifically for code generation. To evaluate the ability of LLMs on code, both academic and industry practitioners rely on popular handcrafted benchmarks. However, prior benchmarks contain only a very limited set of problems, both in quantity and variety. Further, due to popularity and age, many benchmarks are prone to data leakage where example solutions can be readily found on the web and thus potentially in training data. Such limitations inevitably lead us to inquire: Is the leaderboard performance on existing benchmarks reliable and comprehensive enough to measure the program synthesis ability of LLMs? To address this, we introduce EvoEval -- a program synthesis benchmark suite created by evolving existing benchmarks into different targeted domains for a comprehensive evaluation of LLM coding abilities. Our study on 51 LLMs shows that compared to the high performance obtained on standard benchmarks like HumanEval, there is a significant drop in performance (on average 39.4%) when using EvoEval. Additionally, the decrease in performance can range from 19.6% to 47.7%, leading to drastic ranking changes amongst LLMs and showing potential overfitting of existing benchmarks. Furthermore, we showcase various insights, including the brittleness of instruction-following models when encountering rewording or subtle changes as well as the importance of learning problem composition and decomposition. EvoEval not only provides comprehensive benchmarks, but can be used to further evolve arbitrary problems to keep up with advances and the ever-changing landscape of LLMs for code. We have open-sourced our benchmarks, tools, and complete LLM generations at https://github.com/evo-eval/evoeval

  • 3 authors
·
Mar 27, 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.

  • 6 authors
·
May 7, 2025 1

Frontier-Eng: Benchmarking Self-Evolving Agents on Real-World Engineering Tasks with Generative Optimization

Current LLM agent benchmarks, which predominantly focus on binary pass/fail tasks such as code generation or search-based question answering, often neglect the value of real-world engineering that is often captured through the iterative optimization of feasible designs. To this end, we introduce Frontier-Eng, a human-verified benchmark for generative optimization -- an iterative propose-execute-evaluate loop in which an agent generates candidate artifacts, receives executable verifier feedback, and revises them under a fixed interaction budget -- spanning 47 tasks across five broad engineering categories. Unlike previous suites, Frontier-Eng tasks are grounded in industrial-grade simulators and verifiers that provide continuous reward signals and enforce hard feasibility constraints under constrained budgets. We evaluate eight frontier language models using representative search frameworks, finding that while Claude 4.6 Opus achieves the most robust performance, the benchmark remains challenging for all models. Our analysis suggests a dual power-law decay in improvement frequency (sim 1/iteration) and magnitude (sim 1/improvement count). We further show that although width improves parallelism and diversity, depth remains crucial for hard-won improvements under a fixed budget. Frontier-Eng establishes a new standard for assessing the capacity of AI agents to integrate domain knowledge with executable feedback to solve complex, open-ended engineering problems.

  • 21 authors
·
Apr 13

Zero-shot Benchmarking: A Framework for Flexible and Scalable Automatic Evaluation of Language Models

As language models improve and become capable of performing more complex tasks across modalities, evaluating them automatically becomes increasingly challenging. Developing strong and robust task-specific automatic metrics gets harder, and human-annotated test sets -- which are expensive to create -- saturate more quickly. A compelling alternative is to design reliable strategies to automate the creation of test data and evaluation, but previous attempts either rely on pre-existing data, or focus solely on individual tasks. We present Zero-shot Benchmarking (ZSB), a framework for creating high-quality benchmarks for any task by leveraging language models for both synthetic test data creation and evaluation. ZSB is simple and flexible: it requires only the creation of a prompt for data generation and one for evaluation; it is scalable to tasks and languages where collecting real-world data is costly or impractical; it is model-agnostic, allowing the creation of increasingly challenging benchmarks as models improve. To assess the effectiveness of our framework, we create benchmarks for five text-only tasks and a multi-modal one: general capabilities in four languages (English, Chinese, French, and Korean), translation, and general vision-language capabilities in English. We then rank a broad range of open and closed systems on our benchmarks. ZSB rankings consistently correlate strongly with human rankings, outperforming widely-adopted standard benchmarks. Through ablations, we find that strong benchmarks can be created with open models, and that judge model size and dataset variety are crucial drivers of performance. We release all our benchmarks, and code to reproduce our experiments and to produce new benchmarks.

  • 4 authors
·
Apr 1, 2025

StabilizerBench: A Benchmark for AI-Assisted Quantum Error Correction Circuit Synthesis

As quantum hardware scales toward fault tolerant operation, the demand for correct quantum error correction (QEC) circuits far outpaces manual design capacity. AI agents offer a promising path to automating this synthesis, yet no benchmark exists to measure their progress on the specialized task of generating QEC circuits. We introduce StabilizerBench, a benchmark suite of 192 stabilizer codes spanning 12 families, 4-196 qubits, and distances 2-21, organized into three tasks of increasing difficulty: state preparation circuit generation, circuit optimization under semantic constraints, and fault tolerant circuit synthesis. Although motivated by QEC, stabilizer circuits exercise core competencies required for general quantum programming, including gate decomposition, qubit routing, and semantic preserving transformations, while admitting efficient verification via the Gottesman Knill theorem, enabling the benchmark to scale to large codes without the exponential cost of full unitary comparison. We define a unified generator weighted scoring system with two tiers: a capability score measuring breadth of success and a quality score capturing circuit merit. We also introduce continuous fault tolerance and optimization metrics that grade error resilience and circuit improvements beyond binary pass or fail. Following the design of classical benchmarks such as SWE-bench, StabilizerBench specifies inputs, verification oracles, and scoring but leaves prompts and agent strategies open. We evaluate three frontier AI agents and find the benchmark discriminates across models and tasks with substantial headroom for improvement.

  • 6 authors
·
Apr 22

Less Quantum, More Advantage: An End-to-End Quantum Algorithm for the Jones Polynomial

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

  • 9 authors
·
Mar 7, 2025

QEDBENCH: Quantifying the Alignment Gap in Automated Evaluation of University-Level Mathematical Proofs

As Large Language Models (LLMs) saturate elementary benchmarks, the research frontier has shifted from generation to the reliability of automated evaluation. We demonstrate that standard "LLM-as-a-Judge" protocols suffer from a systematic Alignment Gap when applied to upper-undergraduate to early graduate level mathematics. To quantify this, we introduce QEDBench, the first large-scale dual-rubric alignment benchmark to systematically measure alignment with human experts on university-level math proofs by contrasting course-specific rubrics against expert common knowledge criteria. By deploying a dual-evaluation matrix (7 judges x 5 solvers) against 1,000+ hours of human evaluation, we reveal that certain frontier evaluators like Claude Opus 4.5, DeepSeek-V3, Qwen 2.5 Max, and Llama 4 Maverick exhibit significant positive bias (up to +0.18, +0.20, +0.30, +0.36 mean score inflation, respectively). Furthermore, we uncover a critical reasoning gap in the discrete domain: while Gemini 3.0 Pro achieves state-of-the-art performance (0.91 average human evaluation score), other reasoning models like GPT-5 Pro and Claude Sonnet 4.5 see their performance significantly degrade in discrete domains. Specifically, their average human evaluation scores drop to 0.72 and 0.63 in Discrete Math, and to 0.74 and 0.50 in Graph Theory. In addition to these research results, we also release QEDBench as a public benchmark for evaluating and improving AI judges. Our benchmark is publicly published at https://github.com/qqliu/Yale-QEDBench.

SWE-fficiency: Can Language Models Optimize Real-World Repositories on Real Workloads?

Optimizing the performance of large-scale software repositories demands expertise in code reasoning and software engineering (SWE) to reduce runtime while preserving program correctness. However, most benchmarks emphasize what to fix rather than how to fix code. We introduce SWE-fficiency, a benchmark for evaluating repository-level performance optimization on real workloads. Our suite contains 498 tasks across nine widely used data-science, machine-learning, and HPC repositories (e.g., numpy, pandas, scipy): given a complete codebase and a slow workload, an agent must investigate code semantics, localize bottlenecks and relevant tests, and produce a patch that matches or exceeds expert speedup while passing the same unit tests. To enable this how-to-fix evaluation, our automated pipeline scrapes GitHub pull requests for performance-improving edits, combining keyword filtering, static analysis, coverage tooling, and execution validation to both confirm expert speedup baselines and identify relevant repository unit tests. Empirical evaluation of state-of-the-art agents reveals significant underperformance. On average, agents achieve less than 0.15x the expert speedup: agents struggle in localizing optimization opportunities, reasoning about execution across functions, and maintaining correctness in proposed edits. We release the benchmark and accompanying data pipeline to facilitate research on automated performance engineering and long-horizon software reasoning.

  • 8 authors
·
Nov 8, 2025 2

Program Synthesis with Large Language Models

This paper explores the limits of the current generation of large language models for program synthesis in general purpose programming languages. We evaluate a collection of such models (with between 244M and 137B parameters) on two new benchmarks, MBPP and MathQA-Python, in both the few-shot and fine-tuning regimes. Our benchmarks are designed to measure the ability of these models to synthesize short Python programs from natural language descriptions. The Mostly Basic Programming Problems (MBPP) dataset contains 974 programming tasks, designed to be solvable by entry-level programmers. The MathQA-Python dataset, a Python version of the MathQA benchmark, contains 23914 problems that evaluate the ability of the models to synthesize code from more complex text. On both datasets, we find that synthesis performance scales log-linearly with model size. Our largest models, even without finetuning on a code dataset, can synthesize solutions to 59.6 percent of the problems from MBPP using few-shot learning with a well-designed prompt. Fine-tuning on a held-out portion of the dataset improves performance by about 10 percentage points across most model sizes. On the MathQA-Python dataset, the largest fine-tuned model achieves 83.8 percent accuracy. Going further, we study the model's ability to engage in dialog about code, incorporating human feedback to improve its solutions. We find that natural language feedback from a human halves the error rate compared to the model's initial prediction. Additionally, we conduct an error analysis to shed light on where these models fall short and what types of programs are most difficult to generate. Finally, we explore the semantic grounding of these models by fine-tuning them to predict the results of program execution. We find that even our best models are generally unable to predict the output of a program given a specific input.

  • 11 authors
·
Aug 15, 2021

A Lean Dataset for International Math Olympiad: Small Steps towards Writing Math Proofs for Hard Problems

Using AI to write formal proofs for mathematical problems is a challenging task that has seen some advancements in recent years. Automated systems such as Lean can verify the correctness of proofs written in formal language, yet writing the proofs in formal language can be challenging for humans and machines. The miniF2F benchmark has 20 IMO problems in its test set, yet formal proofs are available only for 6 of these problems (3 of which are only written by mathematicians). The model with best accuracy can only prove 2 of these 20 IMO problems, from 1950s and 60s, while its training set is a secret. In this work, we write complete, original formal proofs for the remaining IMO problems in Lean along with 3 extra problems from IMO 2022 and 2023. This effort expands the availability of proof currently in the public domain by creating 5,880 lines of Lean proof. The goal of the paper is to pave the way for developing AI models that can automatically write the formal proofs for all the IMO problems in miniF2F and beyond by providing an evaluation benchmark. In this pursuit, we devise a method to decompose the proofs of these problems into their building blocks, constructing a dataset of 1,329 lemmas with more than 40k lines of Lean code. These lemmas are not trivial, yet they are approachable, providing the opportunity to evaluate and diagnose the failures and successes of AI models. We evaluate the ability of the SOTA LLMs on our dataset and analyze their success and failure modes from different perspectives. Our dataset and code is available at: https://github.com/roozbeh-yz/IMO-Steps.

  • 3 authors
·
Nov 27, 2024

CayleyPy Growth: Efficient growth computations and hundreds of new conjectures on Cayley graphs (Brief version)

This is the third paper of the CayleyPy project applying artificial intelligence to problems in group theory. We announce the first public release of CayleyPy, an open source Python library for computations with Cayley and Schreier graphs. Compared with systems such as GAP and Sage, CayleyPy handles much larger graphs and performs several orders of magnitude faster. Using CayleyPy we obtained about 200 new conjectures on Cayley and Schreier graphs, focused on diameters and growth. For many Cayley graphs of symmetric groups Sn we observe quasi polynomial diameter formulas: a small set of quadratic or linear polynomials indexed by n mod s. We conjecture that this is a general phenomenon, giving efficient diameter computation despite the problem being NP hard. We propose a refinement of the Babai type conjecture on diameters of Sn: n^2/2 + 4n upper bounds in the undirected case, compared to previous O(n^2) bounds. We also provide explicit generator families, related to involutions in a square with whiskers pattern, conjectured to maximize the diameter; search confirms this for all n up to 15. We further conjecture an answer to a question posed by V M Glushkov in 1968 on directed Cayley graphs generated by a cyclic shift and a transposition. For nilpotent groups we conjecture an improvement of J S Ellenberg's results on upper unitriangular matrices over Z/pZ, showing linear dependence of diameter on p. Moreover. Some conjectures are LLM friendly, naturally stated as sorting problems verifiable by algorithms or Python code. To benchmark path finding we created more than 10 Kaggle datasets. CayleyPy works with arbitrary permutation or matrix groups and includes over 100 predefined generators. Our growth computation code outperforms GAP and Sage up to 1000 times in speed and size.

  • 49 authors
·
Sep 23, 2025

Mixture-of-Models: Unifying Heterogeneous Agents via N-Way Self-Evaluating Deliberation

This paper introduces the N-Way Self-Evaluating Deliberation (NSED) protocol, a Runtime Mixture-of-Models (MoM) architecture that constructs emergent composite models from a plurality of distinct expert agents. Unlike traditional Mixture-of-Experts (MoE) which rely on static gating networks, NSED employs a Dynamic Expertise Broker - a runtime optimization engine that treats model selection as a variation of the Knapsack Problem, binding heterogeneous checkpoints to functional roles based on live telemetry and cost constraints. At the execution layer, we formalize deliberation as a Macro-Scale Recurrent Neural Network (RNN), where the consensus state loops back through a semantic forget gate to enable iterative refinement without proportional VRAM scaling. Key components include an orchestration fabric for trustless N-to-N peer review, a Quadratic Voting activation function for non-linear consensus, and a feedback-driven state update. Empirical validation on challenging benchmarks (AIME 2025, LiveCodeBench) demonstrates that this topology allows ensembles of small (less than 20B) consumer-grade models to match or exceed the performance of state-of-the-art 100B+ parameter models, establishing a new hardware arbitrage efficiency frontier. Furthermore, testing on the DarkBench safety suite reveals intrinsic alignment properties, with peer-mediated correction reducing sycophancy scores below that of any individual agent.

  • 2 authors
·
Jan 22

CMT-Benchmark: A Benchmark for Condensed Matter Theory Built by Expert Researchers

Large language models (LLMs) have shown remarkable progress in coding and math problem-solving, but evaluation on advanced research-level problems in hard sciences remains scarce. To fill this gap, we present CMT-Benchmark, a dataset of 50 problems covering condensed matter theory (CMT) at the level of an expert researcher. Topics span analytical and computational approaches in quantum many-body, and classical statistical mechanics. The dataset was designed and verified by a panel of expert researchers from around the world. We built the dataset through a collaborative environment that challenges the panel to write and refine problems they would want a research assistant to solve, including Hartree-Fock, exact diagonalization, quantum/variational Monte Carlo, density matrix renormalization group (DMRG), quantum/classical statistical mechanics, and model building. We evaluate LLMs by programmatically checking solutions against expert-supplied ground truth. We developed machine-grading, including symbolic handling of non-commuting operators via normal ordering. They generalize across tasks too. Our evaluations show that frontier models struggle with all of the problems in the dataset, highlighting a gap in the physical reasoning skills of current LLMs. Notably, experts identified strategies for creating increasingly difficult problems by interacting with the LLMs and exploiting common failure modes. The best model, GPT5, solves 30\% of the problems; average across 17 models (GPT, Gemini, Claude, DeepSeek, Llama) is 11.4pm2.1\%. Moreover, 18 problems are solved by none of the 17 models, and 26 by at most one. These unsolved problems span Quantum Monte Carlo, Variational Monte Carlo, and DMRG. Answers sometimes violate fundamental symmetries or have unphysical scaling dimensions. We believe this benchmark will guide development toward capable AI research assistants and tutors.

  • 19 authors
·
Oct 6, 2025

Is Your Code Generated by ChatGPT Really Correct? Rigorous Evaluation of Large Language Models for Code Generation

Program synthesis has been long studied with recent approaches focused on directly using the power of Large Language Models (LLMs) to generate code. Programming benchmarks, with curated synthesis problems and test-cases, are used to measure the performance of various LLMs on code synthesis. However, these test-cases can be limited in both quantity and quality for fully assessing the functional correctness of the generated code. Such limitation in the existing benchmarks begs the following question: In the era of LLMs, is the code generated really correct? To answer this, we propose EvalPlus -- a code synthesis evaluation framework to rigorously benchmark the functional correctness of LLM-synthesized code. EvalPlus augments a given evaluation dataset with large amounts of test-cases newly produced by an automatic test input generator, powered by both LLM- and mutation-based strategies. While EvalPlus is general, we extend the test-cases of the popular HumanEval benchmark by 80x to build HumanEval+. Our extensive evaluation across 26 popular LLMs (e.g., GPT-4 and ChatGPT) demonstrates that HumanEval+ is able to catch significant amounts of previously undetected wrong code synthesized by LLMs, reducing the pass@k by up-to 19.3-28.9%. We also surprisingly found that test insufficiency can lead to mis-ranking. For example, both WizardCoder-CodeLlama and Phind-CodeLlama now outperform ChatGPT on HumanEval+, while none of them could on HumanEval. Our work not only indicates that prior popular code synthesis evaluation results do not accurately reflect the true performance of LLMs for code synthesis, but also opens up a new direction to improve such programming benchmarks through automated testing. We have open-sourced our tools, enhanced datasets as well as all LLM-generated code at https://github.com/evalplus/evalplus to facilitate and accelerate future LLM-for-code research.

  • 4 authors
·
May 2, 2023

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

carps: A Framework for Comparing N Hyperparameter Optimizers on M Benchmarks

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

  • 17 authors
·
Jun 6, 2025

APOLLO: Automated LLM and Lean Collaboration for Advanced Formal Reasoning

Formal reasoning and automated theorem proving constitute a challenging subfield of machine learning, in which machines are tasked with proving mathematical theorems using formal languages like Lean. A formal verification system can check whether a formal proof is correct or not almost instantaneously, but generating a completely correct formal proof with large language models (LLMs) remains a formidable task. The usual approach in the literature is to prompt the LLM many times (up to several thousands) until one of the generated proofs passes the verification system. In this work, we present APOLLO (Automated PrOof repair via LLM and Lean cOllaboration), a modular, model-agnostic pipeline that combines the strengths of the Lean compiler with an LLM's reasoning abilities to achieve better proof-generation results at a low sampling budget. Apollo directs a fully automated process in which the LLM generates proofs for theorems, a set of agents analyze the proofs, fix the syntax errors, identify the mistakes in the proofs using Lean, isolate failing sub-lemmas, utilize automated solvers, and invoke an LLM on each remaining goal with a low top-K budget. The repaired sub-proofs are recombined and reverified, iterating up to a user-controlled maximum number of attempts. On the miniF2F benchmark, we establish a new state-of-the-art accuracy of 75.0% among 7B-parameter models while keeping the sampling budget below one thousand. Moreover, Apollo raises the state-of-the-art accuracy for Goedel-Prover-SFT to 65.6% while cutting sample complexity from 25,600 to a few hundred. General-purpose models (o3-mini, o4-mini) jump from 3-7% to over 40% accuracy. Our results demonstrate that targeted, compiler-guided repair of LLM outputs yields dramatic gains in both efficiency and correctness, suggesting a general paradigm for scalable automated theorem proving.

  • 3 authors
·
May 8, 2025

EfficientLLM: Efficiency in Large Language Models

Large Language Models (LLMs) have driven significant progress, yet their growing parameter counts and context windows incur prohibitive compute, energy, and monetary costs. We introduce EfficientLLM, a novel benchmark and the first comprehensive empirical study evaluating efficiency techniques for LLMs at scale. Conducted on a production-class cluster (48xGH200, 8xH200 GPUs), our study systematically explores three key axes: (1) architecture pretraining (efficient attention variants: MQA, GQA, MLA, NSA; sparse Mixture-of-Experts (MoE)), (2) fine-tuning (parameter-efficient methods: LoRA, RSLoRA, DoRA), and (3) inference (quantization methods: int4, float16). We define six fine-grained metrics (Memory Utilization, Compute Utilization, Latency, Throughput, Energy Consumption, Compression Rate) to capture hardware saturation, latency-throughput balance, and carbon cost. Evaluating over 100 model-technique pairs (0.5B-72B parameters), we derive three core insights: (i) Efficiency involves quantifiable trade-offs: no single method is universally optimal; e.g., MoE reduces FLOPs and improves accuracy but increases VRAM by 40%, while int4 quantization cuts memory/energy by up to 3.9x at a 3-5% accuracy drop. (ii) Optima are task- and scale-dependent: MQA offers optimal memory-latency trade-offs for constrained devices, MLA achieves lowest perplexity for quality-critical tasks, and RSLoRA surpasses LoRA efficiency only beyond 14B parameters. (iii) Techniques generalize across modalities: we extend evaluations to Large Vision Models (Stable Diffusion 3.5, Wan 2.1) and Vision-Language Models (Qwen2.5-VL), confirming effective transferability. By open-sourcing datasets, evaluation pipelines, and leaderboards, EfficientLLM provides essential guidance for researchers and engineers navigating the efficiency-performance landscape of next-generation foundation models.

  • 16 authors
·
May 19, 2025 1

DiscoveryBench: Towards Data-Driven Discovery with Large Language Models

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

  • 10 authors
·
Jul 1, 2024

How Efficient is LLM-Generated Code? A Rigorous & High-Standard Benchmark

The emergence of large language models (LLMs) has significantly pushed the frontiers of program synthesis. Advancement of LLM-based program synthesis calls for a thorough evaluation of LLM-generated code. Most evaluation frameworks focus on the (functional) correctness of generated code; efficiency, as an important measure of code quality, has been overlooked in existing evaluations. In this work, we develop ENAMEL (EfficeNcy AutoMatic EvaLuator), a rigorous and high-standard benchmark for evaluating the capability of LLMs in generating efficient code. Firstly, we propose a new efficiency metric called eff@k, which generalizes the pass@k metric from correctness to efficiency and appropriately handles right-censored execution time. Furthermore, we derive an unbiased and variance-reduced estimator of eff@k via Rao--Blackwellization; we also provide a numerically stable implementation for the new estimator. Secondly, to set a high-standard for efficiency evaluation, we employ a human expert to design best algorithms and implementations as our reference solutions of efficiency, many of which are much more efficient than existing canonical solutions in HumanEval and HumanEval+. Moreover, to ensure a rigorous evaluation, we employ a human expert to curate strong test case generators to filter out wrong code and differentiate suboptimal algorithms. An extensive study across 30 popular LLMs using our benchmark ENAMEL shows that LLMs still fall short of generating expert-level efficient code. Using two subsets of our problem set, we demonstrate that such deficiency is because current LLMs struggle in designing advanced algorithms and are barely aware of implementation optimization. Our benchmark is publicly available at https://github.com/q-rz/enamel .

  • 5 authors
·
Jun 10, 2024

BigCodeBench: Benchmarking Code Generation with Diverse Function Calls and Complex Instructions

Automated software engineering has been greatly empowered by the recent advances in Large Language Models (LLMs) for programming. While current benchmarks have shown that LLMs can perform various software engineering tasks like human developers, the majority of their evaluations are limited to short and self-contained algorithmic tasks. Solving challenging and practical programming tasks requires the capability of utilizing diverse function calls as tools to efficiently implement functionalities like data analysis and web development. In addition, using multiple tools to solve a task needs compositional reasoning by accurately understanding complex instructions. Fulfilling both of these characteristics can pose a great challenge for LLMs. To assess how well LLMs can solve challenging and practical programming tasks, we introduce Bench, a benchmark that challenges LLMs to invoke multiple function calls as tools from 139 libraries and 7 domains for 1,140 fine-grained programming tasks. To evaluate LLMs rigorously, each programming task encompasses 5.6 test cases with an average branch coverage of 99%. In addition, we propose a natural-language-oriented variant of Bench, Benchi, that automatically transforms the original docstrings into short instructions only with essential information. Our extensive evaluation of 60 LLMs shows that LLMs are not yet capable of following complex instructions to use function calls precisely, with scores up to 60%, significantly lower than the human performance of 97%. The results underscore the need for further advancements in this area.

bigcode BigCode
·
Jun 22, 2024 8

OptProver: Bridging Olympiad and Optimization through Continual Training in Formal Theorem Proving

Recent advances in formal theorem proving have focused on Olympiad-level mathematics, leaving undergraduate domains largely unexplored. Optimization, fundamental to machine learning, operations research, and scientific computing, remains underserved by existing provers. Its reliance on domain-specific formalisms (convexity, optimality conditions, and algorithmic analysis) creates significant distribution shift, making naive domain transfer ineffective. We present OptProver, a trained model that achieves robust transfer from Olympiad to undergraduate optimization. Starting from a strong Olympiad-level prover, our pipeline mitigates distribution shift through two key innovations. First, we employ large-scale optimization-focused data curation via expert iteration. Second, we introduce a specialized preference learning objective that integrates perplexity-weighted optimization with a mechanism to penalize valid but non-progressing proof steps. This not only addresses distribution shifts but also guides the search toward efficient trajectories. To enable rigorous evaluation, we construct a novel benchmark in Lean 4 focused on optimization. On this benchmark, OptProver achieves state-of-the-art Pass@1 and Pass@32 among comparably sized models while maintaining competitive performance on general theorem-proving tasks, demonstrating effective domain transfer without catastrophic forgetting.

  • 6 authors
·
Apr 27

A Matter of TASTE: Improving Coverage and Difficulty of Agent Benchmarks

As agent capabilities advance, existing benchmarks, such as τ^2-Bench, are becoming increasingly saturated. Yet constructing new benchmark tasks remains complex, costly, and labor-intensive. Moreover, the standard approach, in which scenarios are first written in natural language and then mapped to tool sequences, captures only a narrow subset of the tool-use patterns agents exercise. In this paper, we address these problems by reversing the task construction process. We propose TASTE: Task Synthesis from Tool Sequence Evolution, an automatic method that generates challenging tasks with broader tool-use coverage. TASTE utilizes an Adaptive Contrastive n-gram model trained on LLM-judged validity signals. This enables sampling valid tool sequences that cover a vast range of tool combinations. TASTE then selects representative sequences from the pool via clustering, instantiates them into complete benchmark tasks, and refines them through iterative difficulty evolution. Using TASTE, we construct τ^c-Bench, a challenging extension of the three domains of τ^2-Bench. We evaluate 11 agent/user LLM pairs and find that models nearly saturating τ^2-Bench suffer severe performance drops on our tasks (e.g., Gemini-3-Flash falls from 0.82!-!0.94 to 0.28!-!0.61). Beyond increasing difficulty, our generated tasks more than double the number of unique tool combinations agents must execute. Our results suggest high scores on existing benchmarks often reflect saturation rather than robust task-solving ability. By automating the generation of difficult, high-coverage benchmarks, TASTE enables continuous, scalable evaluation of future agents.

AlgoVeri: An Aligned Benchmark for Verified Code Generation on Classical Algorithms

Vericoding refers to the generation of formally verified code from rigorous specifications. Recent AI models show promise in vericoding, but a unified methodology for cross-paradigm evaluation is lacking. Existing benchmarks test only individual languages/tools (e.g., Dafny, Verus, and Lean) and each covers very different tasks, so the performance numbers are not directly comparable. We address this gap with AlgoVeri, a benchmark that evaluates vericoding of 77 classical algorithms in Dafny, Verus, and Lean. By enforcing identical functional contracts, AlgoVeri reveals critical capability gaps in verification systems. While frontier models achieve tractable success in Dafny (40.3% for Gemini-3 Flash), where high-level abstractions and SMT automation simplify the workflow, performance collapses under the systems-level memory constraints of Verus (24.7%) and the explicit proof construction required by Lean (7.8%). Beyond aggregate metrics, we uncover a sharp divergence in test-time compute dynamics: Gemini-3 effectively utilizes iterative repair to boost performance (e.g., tripling pass rates in Dafny), whereas GPT-OSS saturates early. Finally, our error analysis shows that language design affects the refinement trajectory: while Dafny allows models to focus on logical correctness, Verus and Lean trap models in persistent syntactic and semantic barriers. All data and evaluation code can be found at https://github.com/haoyuzhao123/algoveri.

  • 9 authors
·
Feb 10

Quartet: Native FP4 Training Can Be Optimal for Large Language Models

The rapid advancement of large language models (LLMs) has been paralleled by unprecedented increases in computational demands, with training costs for state-of-the-art models doubling every few months. Training models directly in low-precision arithmetic offers a solution, by improving both computational throughput and energy efficiency. Specifically, NVIDIA's recent Blackwell architecture facilitates extremely low-precision operations, specifically FP4 variants, promising substantial efficiency gains. Yet, current algorithms for training LLMs in FP4 precision face significant accuracy degradation and often rely on mixed-precision fallbacks. In this paper, we systematically investigate hardware-supported FP4 training and introduce Quartet, a new approach enabling accurate, end-to-end FP4 training with all the major computations (in e.g. linear layers) being performed in low precision. Through extensive evaluations on Llama-type models, we reveal a new low-precision scaling law that quantifies performance trade-offs across varying bit-widths and allows us to identify a "near-optimal" low-precision training technique in terms of accuracy-vs-computation, called Quartet. We implement Quartet using optimized CUDA kernels tailored for NVIDIA Blackwell GPUs, and show that it can achieve state-of-the-art accuracy for FP4 precision, successfully training billion-scale models. Our method demonstrates that fully FP4-based training is a competitive alternative to standard-precision and FP8 training. Our code is available at https://github.com/IST-DASLab/Quartet.

The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products

E(3)-equivariant neural networks have demonstrated success across a wide range of 3D modelling tasks. A fundamental operation in these networks is the tensor product, which interacts two geometric features in an equivariant manner to create new features. Due to the high computational complexity of the tensor product, significant effort has been invested to optimize the runtime of this operation. For example, Luo et al. (2024) recently proposed the Gaunt tensor product (GTP) which promises a significant speedup. In this work, we provide a careful, systematic analysis of a number of tensor product operations. In particular, we emphasize that different tensor products are not performing the same operation. The reported speedups typically come at the cost of expressivity. We introduce measures of expressivity and interactability to characterize these differences. In addition, we realized the original implementation of GTP can be greatly simplified by directly using a spherical grid at no cost in asymptotic runtime. This spherical grid approach is faster on our benchmarks and in actual training of the MACE interatomic potential by 30%. Finally, we provide the first systematic microbenchmarks of the various tensor product operations. We find that the theoretical runtime guarantees can differ wildly from empirical performance, demonstrating the need for careful application-specific benchmarking. Code is available at https://github.com/atomicarchitects/PriceofFreedom.

  • 4 authors
·
Jun 16, 2025

CodeElo: Benchmarking Competition-level Code Generation of LLMs with Human-comparable Elo Ratings

With the increasing code reasoning capabilities of existing large language models (LLMs) and breakthroughs in reasoning models like OpenAI o1 and o3, there is a growing need to develop more challenging and comprehensive benchmarks that effectively test their sophisticated competition-level coding abilities. Existing benchmarks, like LiveCodeBench and USACO, fall short due to the unavailability of private test cases, lack of support for special judges, and misaligned execution environments. To bridge this gap, we introduce CodeElo, a standardized competition-level code generation benchmark that effectively addresses all these challenges for the first time. CodeElo benchmark is mainly based on the official CodeForces platform and tries to align with the platform as much as possible. We compile the recent six months of contest problems on CodeForces with detailed information such as contest divisions, problem difficulty ratings, and problem algorithm tags. We introduce a unique judging method in which problems are submitted directly to the platform and develop a reliable Elo rating calculation system that aligns with the platform and is comparable with human participants but has lower variance. By testing on our CodeElo, we provide the Elo ratings of 30 existing popular open-source and 3 proprietary LLMs for the first time. The results show that o1-mini and QwQ-32B-Preview stand out significantly, achieving Elo ratings of 1578 and 1261, respectively, while other models struggle even with the easiest problems, placing in the lowest 20 percent among all human participants. Detailed analysis experiments are also conducted to provide insights into performance across algorithms and comparisons between using C++ and Python, which can suggest directions for future studies.

  • 17 authors
·
Jan 2, 2025 6

OptiBench Meets ReSocratic: Measure and Improve LLMs for Optimization Modeling

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

  • 10 authors
·
Jul 13, 2024

s2n-bignum-bench: A practical benchmark for evaluating low-level code reasoning of LLMs

Neurosymbolic approaches leveraging Large Language Models (LLMs) with formal methods have recently achieved strong results on mathematics-oriented theorem-proving benchmarks. However, success on competition-style mathematics does not by itself demonstrate the ability to construct proofs about real-world implementations. We address this gap with a benchmark derived from an industrial cryptographic library whose assembly routines are already verified in HOL Light. s2n-bignum is a library used at AWS for providing fast assembly routines for cryptography, and its correctness is established by formal verification. The task of formally verifying this library has been a significant achievement for the Automated Reasoning Group. It involved two tasks: (1) precisely specifying the correct behavior of a program as a mathematical proposition, and (2) proving that the proposition is correct. In the case of s2n-bignum, both tasks were carried out by human experts. In s2n-bignum-bench, we provide the formal specification and ask the LLM to generate a proof script that is accepted by HOL Light within a fixed proof-check timeout. To our knowledge, s2n-bignum-bench is the first public benchmark focused on machine-checkable proof synthesis for industrial low-level cryptographic assembly routines in HOL Light. This benchmark provides a challenging and practically relevant testbed for evaluating LLM-based theorem proving beyond competition mathematics. The code to set up and use the benchmark is available here: https://github.com/kings-crown/s2n-bignum-bench{s2n-bignum-bench}.

  • 5 authors
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Mar 15 2

A Multi-Language Object-Oriented Programming Benchmark for Large Language Models

Establishing fair and robust benchmarks is essential for evaluating intelligent code generation by large language models (LLMs). Our survey of 35 existing benchmarks uncovers three major imbalances: 85.7% focus on a single programming language; 94.3% target only function-level or statement-level tasks; and over 80% include fewer than ten test cases on average. To address these gaps, we propose MultiOOP, a multi-language object-oriented programming benchmark covering six popular languages (Python, PHP, C++, C#, Java, JavaScript) with 267 tasks per language. We design a translator that extends an existing single-language OOP benchmark and the pass@o metric to a multilingual setting. Moreover, we propose an automated framework for augmenting test cases to ensure the reliability of the evaluation results. We evaluate 14 mainstream LLMs under zero-shot prompting and report three key findings: 1) Substantial performance degradation: pass@1 scores on MultiOOP drop by up to 65.6 percentage points compared to function-level tasks (e.g., HumanEval). 2) Cross-language variability: GPT-4o mini achieves pass@1 of 48.06% in Python but only 0.12%-15.26% in other languages, indicating limited multilingual generalization. 3) Conceptual gaps: pass@o scores are consistently 1.1-19.2 points lower than pass@k, demonstrating that LLMs often generate executable code without fully capturing core OOP concepts. Our benchmark, metric extensions, and evaluation scripts will be publicly released to foster a more balanced and comprehensive assessment of LLMs in object-oriented code generation. Our code and data will be released at https://github.com/alphadl/OOP-eval and https://huggingface.co/datasets/codeai-dteam/MultiOOP respectively.

  • 7 authors
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Sep 30, 2025

Riemann-Bench: A Benchmark for Moonshot Mathematics

Recent AI systems have achieved gold-medal-level performance on the International Mathematical Olympiad, demonstrating remarkable proficiency at competition-style problem solving. However, competition mathematics represents only a narrow slice of mathematical reasoning: problems are drawn from limited domains, require minimal advanced machinery, and can often reward insightful tricks over deep theoretical knowledge. We introduce , a private benchmark of 25 expert-curated problems designed to evaluate AI systems on research-level mathematics that goes far beyond the olympiad frontier. Problems are authored by Ivy League mathematics professors, graduate students, and PhD-holding IMO medalists, and routinely took their authors weeks to solve independently. Each problem undergoes double-blind verification by two independent domain experts who must solve the problem from scratch, and yields a unique, closed-form solution assessed by programmatic verifiers. We evaluate frontier models as unconstrained research agents, with full access to coding tools, search, and open-ended reasoning, using an unbiased statistical estimator computed over 100 independent runs per problem. Our results reveal that all frontier models currently score below 10\%, exposing a substantial gap between olympiad-level problem solving and genuine research-level mathematical reasoning. By keeping the benchmark fully private, we ensure that measured performance reflects authentic mathematical capability rather than memorization of training data.

  • 4 authors
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Apr 7

How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science

Every generative model for crystalline materials harbors a critical structure size beyond which its outputs quietly become unreliable -- we call this the extrapolation frontier. Despite its direct consequences for nanomaterial design, this frontier has never been systematically measured. We introduce RADII, a radius-resolved benchmark of {sim}75,000 nanoparticle structures (55-11,298 atoms) that treats radius as a continuous scaling knob to trace generation quality from in-distribution to out-of-distribution regimes under leakage-free splits. RADII provides frontier-specific diagnostics: per-radius error profiles pinpoint each architecture's scaling ceiling, surface-interior decomposition tests whether failures originate at boundaries or in bulk, and cross-metric failure sequencing reveals which aspect of structural fidelity breaks first. Benchmarking five state-of-the-art architectures, we find that: (i) all models degrade by {sim}13% in global positional error beyond training radii, yet local bond fidelity diverges wildly across architectures -- from near-zero to over 2times collapse; (ii) no two architectures share the same failure sequence, revealing the frontier as a multi-dimensional surface shaped by model family; and (iii) well-behaved models obey a power-law scaling exponent αapprox 1/3 whose in-distribution fit accurately predicts out-of-distribution error, making their frontiers quantitatively forecastable. These findings establish output scale as a first-class evaluation axis for geometric generative models. The dataset and code are available at https://github.com/KurbanIntelligenceLab/RADII.

  • 4 authors
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Feb 9

CombiBench: Benchmarking LLM Capability for Combinatorial Mathematics

Neurosymbolic approaches integrating large language models with formal reasoning have recently achieved human-level performance on mathematics competition problems in algebra, geometry and number theory. In comparison, combinatorics remains a challenging domain, characterized by a lack of appropriate benchmarks and theorem libraries. To address this gap, we introduce CombiBench, a comprehensive benchmark comprising 100 combinatorial problems, each formalized in Lean~4 and paired with its corresponding informal statement. The problem set covers a wide spectrum of difficulty levels, ranging from middle school to IMO and university level, and span over ten combinatorial topics. CombiBench is suitable for testing IMO solving capabilities since it includes all IMO combinatorial problems since 2000 (except IMO 2004 P3 as its statement contain an images). Furthermore, we provide a comprehensive and standardized evaluation framework, dubbed Fine-Eval (for Fill-in-the-blank in Lean Evaluation), for formal mathematics. It accommodates not only proof-based problems but also, for the first time, the evaluation of fill-in-the-blank questions. Using Fine-Eval as the evaluation method and Kimina Lean Server as the backend, we benchmark several LLMs on CombiBench and observe that their capabilities for formally solving combinatorial problems remain limited. Among all models tested (none of which has been trained for this particular task), Kimina-Prover attains the best results, solving 7 problems (out of 100) under both ``with solution'' and ``without solution'' scenarios. We open source the benchmark dataset alongside with the code of the proposed evaluation method at https://github.com/MoonshotAI/CombiBench/.

  • 15 authors
·
May 6, 2025

LiveFMBench: Unveiling the Power and Limits of Agentic Workflows in Specification Generation

Formal specification is essential for rigorous program verification, yet writing correct specifications remains costly and difficult to automate. Although large language models (LLMs) and agents have shown promising progress, their true capabilities and failure modes remain unclear. We present the first systematic and contamination-aware study of LLM- and agent-based formal specification generation for C programs. We introduce LiveFMBench, a continuously evolving benchmark of 630 ACSL (ANSI/ISO C Specification Language)-annotated C programs, including 360 newly collected cases designed to mitigate data leakage. Using this benchmark, we evaluate direct prompting with different sampling sizes, reasoning-enabled (thinking mode) inference, the agentic pipeline, and perform a fine-grained failure analysis. Experimental results reveal that naive evaluation substantially overestimates performance because models under direct prompting may exhibit unfaithful behaviors, such as deceiving automated provers or ignoring code-context constraints; after excluding such cases, the true specification generation accuracy drops by approximately 20\%. We further find that both increased sampling and thinking mode significantly improve success rates, with smaller models benefiting more from thinking mode. Agentic pipelines are particularly effective under low sampling budgets and on harder datasets. Failure analysis further shows that incorrect loop invariants are the dominant error type, while agentic pipelines notably reduce assertion errors. These results expose fundamental limitations in current LLM-based approaches and suggest they remain far from replacing human-authored formal specifications. We release LiveFMBench at https://huggingface.co/datasets/fm-universe/Live-FM-Bench and all evaluation artifacts to support future research.

  • 12 authors
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May 1

LiveOIBench: Can Large Language Models Outperform Human Contestants in Informatics Olympiads?

Competitive programming problems increasingly serve as valuable benchmarks to evaluate the coding capabilities of large language models (LLMs) due to their complexity and ease of verification. Yet, current coding benchmarks face limitations such as lack of exceptionally challenging problems, insufficient test case coverage, reliance on online platform APIs that limit accessibility. To address these issues, we introduce LiveOIBench, a comprehensive benchmark featuring 403 expert-curated Olympiad-level competitive programming problems, each with an average of 60 expert-designed test cases. The problems are sourced directly from 72 official Informatics Olympiads in different regions conducted between 2023 and 2025. LiveOIBench distinguishes itself through four key features: (1) meticulously curated high-quality tasks with detailed subtask rubrics and extensive private test cases; (2) direct integration of elite contestant performance data to enable informative comparison against top-performing humans; (3) planned continuous, contamination-free updates from newly released Olympiad problems; and (4) a self-contained evaluation system facilitating offline and easy-to-reproduce assessments. Benchmarking 32 popular general-purpose and reasoning LLMs, we find that GPT-5 achieves a notable 81.76th percentile, a strong result that nonetheless falls short of top human contestant performance, who usually place above 90th. In contrast, among open-weight reasoning models, GPT-OSS-120B achieves only a 60th percentile, underscoring significant capability disparities from frontier closed models. Detailed analyses indicate that robust reasoning models prioritize precise problem analysis over excessive exploration, suggesting future models should emphasize structured analysis and minimize unnecessary exploration. All data, code, and leaderboard results will be made publicly available on our website.

  • 9 authors
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Oct 10, 2025

Alchemy: Amplifying Theorem-Proving Capability through Symbolic Mutation

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

  • 5 authors
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Oct 21, 2024 3

Bayesian Hierarchical Models for Quantitative Estimates for Performance metrics applied to Saddle Search Algorithms

Rigorous performance evaluation is essential for developing robust algorithms for high-throughput computational chemistry. Traditional benchmarking, however, often struggles to account for system-specific variability, making it difficult to form actionable conclusions. We present a Bayesian hierarchical modeling framework that rigorously quantifies performance metrics and their uncertainty, enabling a nuanced comparison of algorithmic strategies. We apply this framework to analyze the Dimer method, comparing Conjugate Gradient (CG) and L-BFGS rotation optimizers, with and without the removal of external rotations, across a benchmark of 500 molecular systems. Our analysis confirms that CG offers higher overall robustness than L-BFGS in this context. While the theoretically-motivated removal of external rotations led to higher computational cost (>40% more energy and force calls) for most systems in this set, our models also reveal a subtle interplay, hinting that this feature may improve the reliability of the L-BFGS optimizer. Rather than identifying a single superior method, our findings support the design of adaptive "chain of methods" workflows. This work showcases how a robust statistical paradigm can move beyond simple performance rankings to inform the intelligent, context-dependent application of computational chemistry methods.

  • 1 authors
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May 19, 2025 1

Evaluating LLMs on Sequential API Call Through Automated Test Generation

By integrating tools from external APIs, Large Language Models (LLMs) have expanded their promising capabilities in a diverse spectrum of complex real-world tasks. However, testing, evaluation, and analysis of LLM tool use remain in their early stages. Most existing benchmarks rely on manually collected test cases, many of which cannot be automatically checked for semantic correctness and instead depend on static methods such as string matching. Additionally, these benchmarks often overlook the complex interactions that occur between sequential API calls, which are common in real-world applications. To fill the gap, in this paper, we introduce StateGen, an automated framework designed to generate diverse coding tasks involving sequential API interactions. StateGen combines state-machine-based API constraint solving and validation, energy-based sampling, and control-flow injection to generate executable programs. These programs are then translated into human-like natural language task descriptions through a collaboration of two LLM agents. Utilizing StateGen, we construct StateEval, a benchmark encompassing 120 verified test cases spanning across three representative scenarios: Session Service, Tensor Operation, and ElevenLabs MCP. Experimental results confirm that StateGen can effectively generate challenging and realistic API-oriented tasks, highlighting areas for improvement in current LLMs incorporating APIs.We make our framework and benchmark publicly available to support future research.

  • 7 authors
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Jul 12, 2025 1

KernelBench-X: A Comprehensive Benchmark for Evaluating LLM-Generated GPU Kernels

LLM-based Triton kernel generation has attracted significant interest, yet a fundamental empirical question remains unanswered: where does this capability break down, and why? We present KernelBench-X, a benchmark designed to answer this question through category-aware evaluation of correctness and hardware efficiency across 176 tasks in 15 categories. Our systematic comparison of five representative methods yields three main findings. First, task structure determines correctness more than method design. Category explains nearly three times more variance in semantic correctness than method (9.4% vs 3.3% explained deviance), and 72% of Fusion tasks fail across all five methods while Math tasks are solved consistently. Second, iterative refinement improves correctness, but not performance. Across GEAK iterations, compile rate rises from 52.3% to 68.8% while average speedup declines from 1.58times to 1.44times; newly rescued kernels consistently underperform persistently correct ones (1.16times vs 1.58times speedup in round~0to1). Third, correctness does not imply efficiency. 46.6% of correct kernels are slower than the PyTorch eager baseline, and cross-hardware speedup variance reaches 21.4times. Besides, quantization remains completely unsolved (0/30 successes) despite non-trivial compilation rates, revealing systematic misunderstanding of numerical computation contracts rather than surface-level syntax errors. These findings suggest that future progress depends on handling global coordination, explicitly modeling numerical precision, and incorporating hardware efficiency into generation. The code is available at https://github.com/BonnieW05/KernelBenchX

NeurIPS 2025 E2LM Competition : Early Training Evaluation of Language Models

Existing benchmarks have proven effective for assessing the performance of fully trained large language models. However, we find striking differences in the early training stages of small models, where benchmarks often fail to provide meaningful or discriminative signals. To explore how these differences arise, this competition tackles the challenge of designing scientific knowledge evaluation tasks specifically tailored for measuring early training progress of language models. Participants are invited to develop novel evaluation methodologies or adapt existing benchmarks to better capture performance differences among language models. To support this effort, we provide three pre-trained small models (0.5B, 1B, and 3B parameters), along with intermediate checkpoints sampled during training up to 200B tokens. All experiments and development work can be run on widely available free cloud-based GPU platforms, making participation accessible to researchers with limited computational resources. Submissions will be evaluated based on three criteria: the quality of the performance signal they produce, the consistency of model rankings at 1 trillion tokens of training, and their relevance to the scientific knowledge domain. By promoting the design of tailored evaluation strategies for early training, this competition aims to attract a broad range of participants from various disciplines, including those who may not be machine learning experts or have access to dedicated GPU resources. Ultimately, this initiative seeks to make foundational LLM research more systematic and benchmark-informed from the earliest phases of model development.

  • 15 authors
·
Jun 9, 2025

V_1: Unifying Generation and Self-Verification for Parallel Reasoners

Test-time scaling for complex reasoning tasks shows that leveraging inference-time compute, by methods such as independently sampling and aggregating multiple solutions, results in significantly better task outcomes. However, a critical bottleneck is verification: sampling is only effective if correct solutions can be reliably identified among candidates. While existing approaches typically evaluate candidates independently via scalar scoring, we demonstrate that models are substantially stronger at pairwise self-verification. Leveraging this insight, we introduce V_1, a framework that unifies generation and verification through efficient pairwise ranking. V_1 comprises two components: V_1-Infer, an uncertainty-guided algorithm using a tournament-based ranking that dynamically allocates self-verification compute to candidate pairs whose relative correctness is most uncertain; and V_1-PairRL, an RL framework that jointly trains a single model as both generator and pairwise self-verifier, ensuring the verifier adapts to the generator's evolving distribution. On code generation (LiveCodeBench, CodeContests, SWE-Bench) and math reasoning (AIME, HMMT) benchmarks, V_1-Infer improves Pass@1 by up to 10% over pointwise verification and outperforms recent test-time scaling methods while being significantly more efficient. Furthermore, V_1-PairRL achieves 7--9% test-time scaling gains over standard RL and pointwise joint training, and improves base Pass@1 by up to 8.7% over standard RL in a code-generation setting.

Berkeley UC Berkeley
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Mar 4 3