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Mar 12

Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.

Artificial Intelligence in Mental Health and Well-Being: Evolution, Current Applications, Future Challenges, and Emerging Evidence

Artificial Intelligence (AI) is a broad field that is upturning mental health care in many ways, from addressing anxiety, depression, and stress to increasing access, personalization of treatment, and real-time monitoring that enhances patient outcomes. The current paper discusses the evolution, present application, and future challenges in the field of AI for mental health and well-being. From the early chatbot models, such as ELIZA, to modern machine learning systems, the integration of AI in mental health has grown rapidly to augment traditional treatment and open innovative solutions. AI-driven tools provide continuous support, offering personalized interventions and addressing issues such as treatment access and patient stigma. AI also enables early diagnosis through the analysis of complex datasets, including speech patterns and social media behavior, to detect early signs of conditions like depression and Post-Traumatic Stress Disorder (PTSD). Ethical challenges persist, however, most notably around privacy, data security, and algorithmic bias. With AI at the core of mental health care, there is a dire need to develop strong ethical frameworks that ensure patient rights are protected, access is equitable, and transparency is maintained in AI applications. Going forward, the role of AI in mental health will continue to evolve, and continued research and policy development will be needed to meet the diverse needs of patients while mitigating associated risks.

Challenges and Complexities in Machine Learning based Credit Card Fraud Detection

Credit cards play an exploding role in modern economies. Its popularity and ubiquity have created a fertile ground for fraud, assisted by the cross boarder reach and instantaneous confirmation. While transactions are growing, the fraud percentages are also on the rise as well as the true cost of a dollar fraud. Volume of transactions, uniqueness of frauds and ingenuity of the fraudster are main challenges in detecting frauds. The advent of machine learning, artificial intelligence and big data has opened up new tools in the fight against frauds. Given past transactions, a machine learning algorithm has the ability to 'learn' infinitely complex characteristics in order to identify frauds in real-time, surpassing the best human investigators. However, the developments in fraud detection algorithms has been challenging and slow due the massively unbalanced nature of fraud data, absence of benchmarks and standard evaluation metrics to identify better performing classifiers, lack of sharing and disclosure of research findings and the difficulties in getting access to confidential transaction data for research. This work investigates the properties of typical massively imbalanced fraud data sets, their availability, suitability for research use while exploring the widely varying nature of fraud distributions. Furthermore, we show how human annotation errors compound with machine classification errors. We also carry out experiments to determine the effect of PCA obfuscation (as a means of disseminating sensitive transaction data for research and machine learning) on algorithmic performance of classifiers and show that while PCA does not significantly degrade performance, care should be taken to use the appropriate principle component size (dimensions) to avoid overfitting.

Intelligent Sensing-to-Action for Robust Autonomy at the Edge: Opportunities and Challenges

Autonomous edge computing in robotics, smart cities, and autonomous vehicles relies on the seamless integration of sensing, processing, and actuation for real-time decision-making in dynamic environments. At its core is the sensing-to-action loop, which iteratively aligns sensor inputs with computational models to drive adaptive control strategies. These loops can adapt to hyper-local conditions, enhancing resource efficiency and responsiveness, but also face challenges such as resource constraints, synchronization delays in multi-modal data fusion, and the risk of cascading errors in feedback loops. This article explores how proactive, context-aware sensing-to-action and action-to-sensing adaptations can enhance efficiency by dynamically adjusting sensing and computation based on task demands, such as sensing a very limited part of the environment and predicting the rest. By guiding sensing through control actions, action-to-sensing pathways can improve task relevance and resource use, but they also require robust monitoring to prevent cascading errors and maintain reliability. Multi-agent sensing-action loops further extend these capabilities through coordinated sensing and actions across distributed agents, optimizing resource use via collaboration. Additionally, neuromorphic computing, inspired by biological systems, provides an efficient framework for spike-based, event-driven processing that conserves energy, reduces latency, and supports hierarchical control--making it ideal for multi-agent optimization. This article highlights the importance of end-to-end co-design strategies that align algorithmic models with hardware and environmental dynamics and improve cross-layer interdependencies to improve throughput, precision, and adaptability for energy-efficient edge autonomy in complex environments.

Understanding accountability in algorithmic supply chains

Academic and policy proposals on algorithmic accountability often seek to understand algorithmic systems in their socio-technical context, recognising that they are produced by 'many hands'. Increasingly, however, algorithmic systems are also produced, deployed, and used within a supply chain comprising multiple actors tied together by flows of data between them. In such cases, it is the working together of an algorithmic supply chain of different actors who contribute to the production, deployment, use, and functionality that drives systems and produces particular outcomes. We argue that algorithmic accountability discussions must consider supply chains and the difficult implications they raise for the governance and accountability of algorithmic systems. In doing so, we explore algorithmic supply chains, locating them in their broader technical and political economic context and identifying some key features that should be understood in future work on algorithmic governance and accountability (particularly regarding general purpose AI services). To highlight ways forward and areas warranting attention, we further discuss some implications raised by supply chains: challenges for allocating accountability stemming from distributed responsibility for systems between actors, limited visibility due to the accountability horizon, service models of use and liability, and cross-border supply chains and regulatory arbitrage

Pre-gated MoE: An Algorithm-System Co-Design for Fast and Scalable Mixture-of-Expert Inference

Large language models (LLMs) based on transformers have made significant strides in recent years, the success of which is driven by scaling up their model size. Despite their high algorithmic performance, the computational and memory requirements of LLMs present unprecedented challenges. To tackle the high compute requirements of LLMs, the Mixture-of-Experts (MoE) architecture was introduced which is able to scale its model size without proportionally scaling up its computational requirements. Unfortunately, MoE's high memory demands and dynamic activation of sparse experts restrict its applicability to real-world problems. Previous solutions that offload MoE's memory-hungry expert parameters to CPU memory fall short because the latency to migrate activated experts from CPU to GPU incurs high performance overhead. Our proposed Pre-gated MoE system effectively tackles the compute and memory challenges of conventional MoE architectures using our algorithm-system co-design. Pre-gated MoE employs our novel pre-gating function which alleviates the dynamic nature of sparse expert activation, allowing our proposed system to address the large memory footprint of MoEs while also achieving high performance. We demonstrate that Pre-gated MoE is able to improve performance, reduce GPU memory consumption, while also maintaining the same level of model quality. These features allow our Pre-gated MoE system to cost-effectively deploy large-scale LLMs using just a single GPU with high performance.

Comparing Human and Machine Bias in Face Recognition

Much recent research has uncovered and discussed serious concerns of bias in facial analysis technologies, finding performance disparities between groups of people based on perceived gender, skin type, lighting condition, etc. These audits are immensely important and successful at measuring algorithmic bias but have two major challenges: the audits (1) use facial recognition datasets which lack quality metadata, like LFW and CelebA, and (2) do not compare their observed algorithmic bias to the biases of their human alternatives. In this paper, we release improvements to the LFW and CelebA datasets which will enable future researchers to obtain measurements of algorithmic bias that are not tainted by major flaws in the dataset (e.g. identical images appearing in both the gallery and test set). We also use these new data to develop a series of challenging facial identification and verification questions that we administered to various algorithms and a large, balanced sample of human reviewers. We find that both computer models and human survey participants perform significantly better at the verification task, generally obtain lower accuracy rates on dark-skinned or female subjects for both tasks, and obtain higher accuracy rates when their demographics match that of the question. Computer models are observed to achieve a higher level of accuracy than the survey participants on both tasks and exhibit bias to similar degrees as the human survey participants.

Contextual Bandits in Payment Processing: Non-uniform Exploration and Supervised Learning at Adyen

Uniform random exploration in decision-making systems supports off-policy learning via supervision but incurs high regret, making it impractical for many applications. Conversely, non-uniform exploration offers better immediate performance but lacks support for off-policy learning. Recent research suggests that regression oracles can bridge this gap by combining non-uniform exploration with supervised learning. In this paper, we analyze these approaches within a real-world industrial context at Adyen, a large global payments processor characterized by batch logged delayed feedback, short-term memory, and dynamic action spaces under the Empirical Risk Minimization (ERM) framework. Our analysis reveals that while regression oracles significantly improve performance, they introduce challenges due to rigid algorithmic assumptions. Specifically, we observe that as a policy improves, subsequent generations may perform worse due to shifts in the reward distribution and increased class imbalance in the training data. This degradation occurs de spite improvements in other aspects of the training data, leading to decreased performance in successive policy iterations. We further explore the long-term impact of regression oracles, identifying a potential "oscillation effect." This effect arises when regression oracles influence probability estimates and the realizability of subsequent policy models, leading to fluctuations in performance across iterations. Our findings highlight the need for more adaptable algorithms that can leverage the benefits of regression oracles without introducing instability in policy performance over time.

Programming Puzzles

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

Competition-Level Code Generation with AlphaCode

Programming is a powerful and ubiquitous problem-solving tool. Developing systems that can assist programmers or even generate programs independently could make programming more productive and accessible, yet so far incorporating innovations in AI has proven challenging. Recent large-scale language models have demonstrated an impressive ability to generate code, and are now able to complete simple programming tasks. However, these models still perform poorly when evaluated on more complex, unseen problems that require problem-solving skills beyond simply translating instructions into code. For example, competitive programming problems which require an understanding of algorithms and complex natural language remain extremely challenging. To address this gap, we introduce AlphaCode, a system for code generation that can create novel solutions to these problems that require deeper reasoning. In simulated evaluations on recent programming competitions on the Codeforces platform, AlphaCode achieved on average a ranking of top 54.3% in competitions with more than 5,000 participants. We found that three key components were critical to achieve good and reliable performance: (1) an extensive and clean competitive programming dataset for training and evaluation, (2) large and efficient-to-sample transformer-based architectures, and (3) large-scale model sampling to explore the search space, followed by filtering based on program behavior to a small set of submissions.

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.

CodeSearchNet Challenge: Evaluating the State of Semantic Code Search

Semantic code search is the task of retrieving relevant code given a natural language query. While related to other information retrieval tasks, it requires bridging the gap between the language used in code (often abbreviated and highly technical) and natural language more suitable to describe vague concepts and ideas. To enable evaluation of progress on code search, we are releasing the CodeSearchNet Corpus and are presenting the CodeSearchNet Challenge, which consists of 99 natural language queries with about 4k expert relevance annotations of likely results from CodeSearchNet Corpus. The corpus contains about 6 million functions from open-source code spanning six programming languages (Go, Java, JavaScript, PHP, Python, and Ruby). The CodeSearchNet Corpus also contains automatically generated query-like natural language for 2 million functions, obtained from mechanically scraping and preprocessing associated function documentation. In this article, we describe the methodology used to obtain the corpus and expert labels, as well as a number of simple baseline solutions for the task. We hope that CodeSearchNet Challenge encourages researchers and practitioners to study this interesting task further and will host a competition and leaderboard to track the progress on the challenge. We are also keen on extending CodeSearchNet Challenge to more queries and programming languages in the future.

Can Language Models Falsify? Evaluating Algorithmic Reasoning with Counterexample Creation

There is growing excitement about the potential of Language Models (LMs) to accelerate scientific discovery. Falsifying hypotheses is key to scientific progress, as it allows claims to be iteratively refined over time. This process requires significant researcher effort, reasoning, and ingenuity. Yet current benchmarks for LMs predominantly assess their ability to generate solutions rather than challenge them. We advocate for developing benchmarks that evaluate this inverse capability - creating counterexamples for subtly incorrect solutions. To demonstrate this approach, we start with the domain of algorithmic problem solving, where counterexamples can be evaluated automatically using code execution. Specifically, we introduce REFUTE, a dynamically updating benchmark that includes recent problems and incorrect submissions from programming competitions, where human experts successfully identified counterexamples. Our analysis finds that the best reasoning agents, even OpenAI o3-mini (high) with code execution feedback, can create counterexamples for only <9% of incorrect solutions in REFUTE, even though ratings indicate its ability to solve up to 48% of these problems from scratch. We hope our work spurs progress in evaluating and enhancing LMs' ability to falsify incorrect solutions - a capability that is crucial for both accelerating research and making models self-improve through reliable reflective reasoning.

Automated Search for Conjectures on Mathematical Constants using Analysis of Integer Sequences

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

On the Design and Analysis of LLM-Based Algorithms

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

Unified Functional Hashing in Automatic Machine Learning

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.

Towards Neural Synthesis for SMT-Assisted Proof-Oriented Programming

Proof-oriented programs mix computational content with proofs of program correctness. However, the human effort involved in programming and proving is still substantial, despite the use of Satisfiability Modulo Theories (SMT) solvers to automate proofs in languages such as F*. Seeking to spur research on using AI to automate the construction of proof-oriented programs, we curate a dataset of 600K lines of open-source F* programs and proofs, including software used in production systems ranging from Windows and Linux, to Python and Firefox. Our dataset includes around 32K top-level F* definitions, each representing a type-directed program and proof synthesis problem -- producing a definition given a formal specification expressed as an F* type. We provide a program-fragment checker that queries F* to check the correctness of candidate solutions. We believe this is the largest corpus of SMT-assisted program proofs coupled with a reproducible program-fragment checker. Grounded in this dataset, we investigate the use of AI to synthesize programs and their proofs in F*, with promising results. Our main finding in that the performance of fine-tuned smaller language models (such as Phi-2 or StarCoder) compare favorably with large language models (such as GPT-4), at a much lower computational cost. We also identify various type-based retrieval augmentation techniques and find that they boost performance significantly. With detailed error analysis and case studies, we identify potential strengths and weaknesses of models and techniques and suggest directions for future improvements.

DART-Math: Difficulty-Aware Rejection Tuning for Mathematical Problem-Solving

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

Leveraging Online Olympiad-Level Math Problems for LLMs Training and Contamination-Resistant Evaluation

Advances in Large Language Models (LLMs) have sparked interest in their ability to solve Olympiad-level math problems. However, the training and evaluation of these models are constrained by the limited size and quality of available datasets, as creating large-scale data for such advanced problems requires extensive effort from human experts. In addition, current benchmarks are prone to contamination, leading to unreliable evaluations. In this paper, we present an automated pipeline that leverages the rich resources of the Art of Problem Solving (AoPS) forum, which predominantly features Olympiad-level problems and community-driven solutions. Using open-source LLMs, we develop a method to extract question-answer pairs from the forum, resulting in AoPS-Instruct, a dataset of more than 600,000 high-quality QA pairs. Our experiments demonstrate that fine-tuning LLMs on AoPS-Instruct improves their reasoning abilities across various benchmarks. Moreover, we build an automatic pipeline that introduces LiveAoPSBench, an evolving evaluation set with timestamps, derived from the latest forum data, providing a contamination-resistant benchmark for assessing LLM performance. Notably, we observe a significant decline in LLM performance over time, suggesting their success on older examples may stem from pre-training exposure rather than true reasoning ability. Our work presents a scalable approach to creating and maintaining large-scale, high-quality datasets for advanced math reasoning, offering valuable insights into the capabilities and limitations of LLMs in this domain. Our benchmark and code is available at https://github.com/DSL-Lab/aops

Language Models as Compilers: Simulating Pseudocode Execution Improves Algorithmic Reasoning in Language Models

Algorithmic reasoning refers to the ability to understand the complex patterns behind the problem and decompose them into a sequence of reasoning steps towards the solution. Such nature of algorithmic reasoning makes it a challenge for large language models (LLMs), even though they have demonstrated promising performance in other reasoning tasks. Within this context, some recent studies use programming languages (e.g., Python) to express the necessary logic for solving a given instance/question (e.g., Program-of-Thought) as inspired by their strict and precise syntaxes. However, it is non-trivial to write an executable code that expresses the correct logic on the fly within a single inference call. Also, the code generated specifically for an instance cannot be reused for others, even if they are from the same task and might require identical logic to solve. This paper presents Think-and-Execute, a novel framework that decomposes the reasoning process of language models into two steps. (1) In Think, we discover a task-level logic that is shared across all instances for solving a given task and then express the logic with pseudocode; (2) In Execute, we further tailor the generated pseudocode to each instance and simulate the execution of the code. With extensive experiments on seven algorithmic reasoning tasks, we demonstrate the effectiveness of Think-and-Execute. Our approach better improves LMs' reasoning compared to several strong baselines performing instance-specific reasoning (e.g., CoT and PoT), suggesting the helpfulness of discovering task-level logic. Also, we show that compared to natural language, pseudocode can better guide the reasoning of LMs, even though they are trained to follow natural language instructions.

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.

CHAMP: A Competition-level Dataset for Fine-Grained Analyses of LLMs' Mathematical Reasoning Capabilities

Recent large language models (LLMs) have shown indications of mathematical reasoning ability. However it has not been clear how they would fare on more challenging competition-level problems. And while self-generated verbalizations of intermediate reasoning steps (i.e., chain-of-thought prompting) have been shown to be helpful, whether LLMs can make use of helpful side information such as problem-specific hints has not been investigated before. In this paper, we propose a challenging benchmark dataset for enabling such analyses. The Concept and Hint-Annotated Math Problems (CHAMP) consists of high school math competition problems, annotated with concepts, or general math facts, and hints, or problem-specific tricks. These annotations allow us to explore the effects of additional information, such as relevant hints, misleading concepts, or related problems. This benchmark is difficult, with the best model only scoring 58.1% in standard settings. With concepts and hints, performance sometimes improves, indicating that some models can make use of such side information. We further annotate model-generated solutions for their correctness. Using this corpus, we find that models often arrive at the correct final answer through wrong reasoning steps. In addition, we test whether models are able to verify these solutions, and find that most models struggle. The dataset and code are available on the project website.

Parsel: Algorithmic Reasoning with Language Models by Composing Decompositions

Despite recent success in large language model (LLM) reasoning, LLMs struggle with hierarchical multi-step reasoning tasks like generating complex programs. For these tasks, humans often start with a high-level algorithmic design and implement each part gradually. We introduce Parsel, a framework enabling automatic implementation and validation of complex algorithms with code LLMs. With Parsel, we automatically decompose algorithmic tasks into hierarchical natural language function descriptions and then search over combinations of possible function implementations using tests. We show that Parsel can be used across domains requiring hierarchical reasoning, including program synthesis and robotic planning. We find that, using Parsel, LLMs solve more competition-level problems in the APPS dataset, resulting in pass rates over 75\% higher than prior results from directly sampling AlphaCode and Codex, while often using a smaller sample budget. Moreover, with automatically generated tests, we find that Parsel can improve the state-of-the-art pass@1 performance on HumanEval from 67\% to 85\%. We also find that LLM-generated robotic plans using Parsel are more than twice as likely to be considered accurate than directly generated plans. Lastly, we explore how Parsel addresses LLM limitations and discuss how Parsel may be useful for human programmers. We release our code at https://github.com/ezelikman/parsel

Parameter-Efficient Fine-Tuning for Large Models: A Comprehensive Survey

Large models represent a groundbreaking advancement in multiple application fields, enabling remarkable achievements across various tasks. However, their unprecedented scale comes with significant computational costs. These models, often consisting of billions of parameters, require vast amounts of computational resources for execution. Especially, the expansive scale and computational demands pose considerable challenges when customizing them for particular downstream tasks, particularly over the hardware platforms constrained by computational capabilities. Parameter Efficient Fine-Tuning (PEFT) provides a practical solution by efficiently adapt the large models over the various downstream tasks. In particular, PEFT refers to the process of adjusting the parameters of a pre-trained large models to adapt it to a specific task while minimizing the number of additional parameters introduced or computational resources required. This approach is particularly important when dealing with large language models with high parameter counts, as fine-tuning these models from scratch can be computationally expensive and resource-intensive, posing considerable challenges in the supporting system platform design. In this survey, we present comprehensive studies of various PEFT algorithms, examining their performance and computational overhead. Moreover, we provide an overview of applications developed using different PEFT algorithms and discuss common techniques employed to mitigate computation costs for PEFT. In addition to the algorithmic perspective, we overview various real-world system designs to investigate the implementation costs associated with different PEFT algorithms. This survey serves as an indispensable resource for researchers aiming to understand both the PEFT algorithm and its system implementation, offering detailed insights into recent advancements and practical applications.

An Algorithm for Recommending Groceries Based on an Item Ranking Method

This research proposes a new recommender system algorithm for online grocery shopping. The algorithm is based on the perspective that, since the grocery items are usually bought in bulk, a grocery recommender system should be capable of recommending the items in bulk. The algorithm figures out the possible dishes a user may cook based on the items added to the basket and recommends the ingredients accordingly. Our algorithm does not depend on the user ratings. Customers usually do not have the patience to rate the groceries they purchase. Therefore, algorithms that are not dependent on user ratings need to be designed. Instead of using a brute force search, this algorithm limits the search space to a set of only a few probably food categories. Each food category consists of several food subcategories. For example, "fried rice" and "biryani" are food subcategories that belong to the food category "rice". For each food category, items are ranked according to how well they can differentiate a food subcategory. To each food subcategory in the activated search space, this algorithm attaches a score. The score is calculated based on the rank of the items added to the basket. Once the score exceeds a threshold value, its corresponding subcategory gets activated. The algorithm then uses a basket-to-recipe similarity measure to identify the best recipe matches within the activated subcategories only. This reduces the search space to a great extent. We may argue that this algorithm is similar to the content-based recommender system in some sense, but it does not suffer from the limitations like limited content, over-specialization, or the new user problem.

Who Audits the Auditors? Recommendations from a field scan of the algorithmic auditing ecosystem

AI audits are an increasingly popular mechanism for algorithmic accountability; however, they remain poorly defined. Without a clear understanding of audit practices, let alone widely used standards or regulatory guidance, claims that an AI product or system has been audited, whether by first-, second-, or third-party auditors, are difficult to verify and may exacerbate, rather than mitigate, bias and harm. To address this knowledge gap, we provide the first comprehensive field scan of the AI audit ecosystem. We share a catalog of individuals (N=438) and organizations (N=189) who engage in algorithmic audits or whose work is directly relevant to algorithmic audits; conduct an anonymous survey of the group (N=152); and interview industry leaders (N=10). We identify emerging best practices as well as methods and tools that are becoming commonplace, and enumerate common barriers to leveraging algorithmic audits as effective accountability mechanisms. We outline policy recommendations to improve the quality and impact of these audits, and highlight proposals with wide support from algorithmic auditors as well as areas of debate. Our recommendations have implications for lawmakers, regulators, internal company policymakers, and standards-setting bodies, as well as for auditors. They are: 1) require the owners and operators of AI systems to engage in independent algorithmic audits against clearly defined standards; 2) notify individuals when they are subject to algorithmic decision-making systems; 3) mandate disclosure of key components of audit findings for peer review; 4) consider real-world harm in the audit process, including through standardized harm incident reporting and response mechanisms; 5) directly involve the stakeholders most likely to be harmed by AI systems in the algorithmic audit process; and 6) formalize evaluation and, potentially, accreditation of algorithmic auditors.

Planning In Natural Language Improves LLM Search For Code Generation

While scaling training compute has led to remarkable improvements in large language models (LLMs), scaling inference compute has not yet yielded analogous gains. We hypothesize that a core missing component is a lack of diverse LLM outputs, leading to inefficient search due to models repeatedly sampling highly similar, yet incorrect generations. We empirically demonstrate that this lack of diversity can be mitigated by searching over candidate plans for solving a problem in natural language. Based on this insight, we propose PLANSEARCH, a novel search algorithm which shows strong results across HumanEval+, MBPP+, and LiveCodeBench (a contamination-free benchmark for competitive coding). PLANSEARCH generates a diverse set of observations about the problem and then uses these observations to construct plans for solving the problem. By searching over plans in natural language rather than directly over code solutions, PLANSEARCH explores a significantly more diverse range of potential solutions compared to baseline search methods. Using PLANSEARCH on top of Claude 3.5 Sonnet achieves a state-of-the-art pass@200 of 77.0% on LiveCodeBench, outperforming both the best score achieved without search (pass@1 = 41.4%) and using standard repeated sampling (pass@200 = 60.6%). Finally, we show that, across all models, search algorithms, and benchmarks analyzed, we can accurately predict performance gains due to search as a direct function of the diversity over generated ideas.

On the Expressive Power of a Variant of the Looped Transformer

Besides natural language processing, transformers exhibit extraordinary performance in solving broader applications, including scientific computing and computer vision. Previous works try to explain this from the expressive power and capability perspectives that standard transformers are capable of performing some algorithms. To empower transformers with algorithmic capabilities and motivated by the recently proposed looped transformer (Yang et al., 2024; Giannou et al., 2023), we design a novel transformer block, dubbed Algorithm Transformer (abbreviated as AlgoFormer). Compared with the standard transformer and vanilla looped transformer, the proposed AlgoFormer can achieve significantly higher expressiveness in algorithm representation when using the same number of parameters. In particular, inspired by the structure of human-designed learning algorithms, our transformer block consists of a pre-transformer that is responsible for task pre-processing, a looped transformer for iterative optimization algorithms, and a post-transformer for producing the desired results after post-processing. We provide theoretical evidence of the expressive power of the AlgoFormer in solving some challenging problems, mirroring human-designed algorithms. Furthermore, some theoretical and empirical results are presented to show that the designed transformer has the potential to be smarter than human-designed algorithms. Experimental results demonstrate the empirical superiority of the proposed transformer in that it outperforms the standard transformer and vanilla looped transformer in some challenging tasks.

B4: Towards Optimal Assessment of Plausible Code Solutions with Plausible Tests

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

From Copilot to Pilot: Towards AI Supported Software Development

AI-supported programming has arrived, as shown by the introduction and successes of large language models for code, such as Copilot/Codex (Github/OpenAI) and AlphaCode (DeepMind). Above human average performance on programming challenges is now possible. However, software engineering is much more than solving programming contests. Moving beyond code completion to AI-supported software engineering will require an AI system that can, among other things, understand how to avoid code smells, to follow language idioms, and eventually (maybe!) propose rational software designs. In this study, we explore the current limitations of AI-supported code completion tools like Copilot and offer a simple taxonomy for understanding the classification of AI-supported code completion tools in this space. We first perform an exploratory study on Copilot's code suggestions for language idioms and code smells. Copilot does not follow language idioms and avoid code smells in most of our test scenarios. We then conduct additional investigation to determine the current boundaries of AI-supported code completion tools like Copilot by introducing a taxonomy of software abstraction hierarchies where 'basic programming functionality' such as code compilation and syntax checking is at the least abstract level, software architecture analysis and design are at the most abstract level. We conclude by providing a discussion on challenges for future development of AI-supported code completion tools to reach the design level of abstraction in our taxonomy.

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.

AceCoder: Utilizing Existing Code to Enhance Code Generation

Large Language Models (LLMs) have shown great success in code generation. LLMs take as the input a prompt and output the code. A key question is how to make prompts (i.e., Prompting Techniques). Existing prompting techniques are designed for natural language generation and have low accuracy in code generation. In this paper, we propose a new prompting technique named AceCoder. Our motivation is that code generation meets two unique challenges (i.e., requirement understanding and code implementation). AceCoder contains two novel mechanisms (i.e., guided code generation and example retrieval) to solve these challenges. (1) Guided code generation asks LLMs first to analyze requirements and output an intermediate preliminary (e.g., test cases). The preliminary is used to clarify requirements and tell LLMs "what to write". (2) Example retrieval selects similar programs as examples in prompts, which provide lots of relevant content (e.g., algorithms, APIs) and teach LLMs "how to write". We apply AceCoder to three LLMs (e.g., Codex) and evaluate it on three public benchmarks using the Pass@k. Results show that AceCoder can significantly improve the performance of LLMs on code generation. (1) In terms of Pass@1, AceCoder outperforms the state-of-the-art baseline by up to 56.4% in MBPP, 70.7% in MBJP, and 88.4% in MBJSP. (2) AceCoder is effective in LLMs with different sizes (i.e., 6B to 13B) and different languages (i.e., Python, Java, and JavaScript). (3) Human evaluation shows human developers prefer programs from AceCoder.

Math Word Problem Solving by Generating Linguistic Variants of Problem Statements

The art of mathematical reasoning stands as a fundamental pillar of intellectual progress and is a central catalyst in cultivating human ingenuity. Researchers have recently published a plethora of works centered around the task of solving Math Word Problems (MWP) - a crucial stride towards general AI. These existing models are susceptible to dependency on shallow heuristics and spurious correlations to derive the solution expressions. In order to ameliorate this issue, in this paper, we propose a framework for MWP solvers based on the generation of linguistic variants of the problem text. The approach involves solving each of the variant problems and electing the predicted expression with the majority of the votes. We use DeBERTa (Decoding-enhanced BERT with disentangled attention) as the encoder to leverage its rich textual representations and enhanced mask decoder to construct the solution expressions. Furthermore, we introduce a challenging dataset, Psmall{ARAMAWPS}, consisting of paraphrased, adversarial, and inverse variants of selectively sampled MWPs from the benchmark Msmall{AWPS} dataset. We extensively experiment on this dataset along with other benchmark datasets using some baseline MWP solver models. We show that training on linguistic variants of problem statements and voting on candidate predictions improve the mathematical reasoning and robustness of the model. We make our code and data publicly available.

HumanEval Pro and MBPP Pro: Evaluating Large Language Models on Self-invoking Code Generation

We introduce self-invoking code generation, a new task designed to evaluate the progressive reasoning and problem-solving capabilities of LLMs. In this task, models are presented with a base problem and a related, more complex problem. They must solve the base problem and then utilize its solution to address the more complex one. This work features three key contributions. First, we propose a general recipe for generating more challenging versions of existing benchmarks, resulting in three new benchmarks: HumanEval Pro, MBPP Pro, and BigCodeBench-Lite Pro, specifically designed to assess LLMs on self-invoking code generation. Second, from the analysis of experimental results over twenty LLMs on our benchmarks, we have two important observations: (i) Most LLMs excel in traditional code generation benchmarks like HumanEval and MBPP, but their performance declines on self-invoking tasks. For example, o1-mini achieves 96.2% pass@1 on HumanEval but only 76.2% on HumanEval Pro. (ii) On self-invoking code generation task, the instruction-tuned models demonstrate only marginal improvements compared to the base models. Third, we disclose the types of failure modes that exist in our evaluation results. All these results underscore the need for further advancements in self-invoking code generation tasks and provide a new direction for future research on enhancing LLMs' code reasoning capabilities.

ChatGPT4PCG 2 Competition: Prompt Engineering for Science Birds Level Generation

This paper presents the second ChatGPT4PCG competition at the 2024 IEEE Conference on Games. In this edition of the competition, we follow the first edition, but make several improvements and changes. We introduce a new evaluation metric along with allowing a more flexible format for participants' submissions and making several improvements to the evaluation pipeline. Continuing from the first edition, we aim to foster and explore the realm of prompt engineering (PE) for procedural content generation (PCG). While the first competition saw success, it was hindered by various limitations; we aim to mitigate these limitations in this edition. We introduce diversity as a new metric to discourage submissions aimed at producing repetitive structures. Furthermore, we allow submission of a Python program instead of a prompt text file for greater flexibility in implementing advanced PE approaches, which may require control flow, including conditions and iterations. We also make several improvements to the evaluation pipeline with a better classifier for similarity evaluation and better-performing function signatures. We thoroughly evaluate the effectiveness of the new metric and the improved classifier. Additionally, we perform an ablation study to select a function signature to instruct ChatGPT for level generation. Finally, we provide implementation examples of various PE techniques in Python and evaluate their preliminary performance. We hope this competition serves as a resource and platform for learning about PE and PCG in general.

Automated Design of Agentic Systems

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

Towards Bridging the Gaps between the Right to Explanation and the Right to be Forgotten

The Right to Explanation and the Right to be Forgotten are two important principles outlined to regulate algorithmic decision making and data usage in real-world applications. While the right to explanation allows individuals to request an actionable explanation for an algorithmic decision, the right to be forgotten grants them the right to ask for their data to be deleted from all the databases and models of an organization. Intuitively, enforcing the right to be forgotten may trigger model updates which in turn invalidate previously provided explanations, thus violating the right to explanation. In this work, we investigate the technical implications arising due to the interference between the two aforementioned regulatory principles, and propose the first algorithmic framework to resolve the tension between them. To this end, we formulate a novel optimization problem to generate explanations that are robust to model updates due to the removal of training data instances by data deletion requests. We then derive an efficient approximation algorithm to handle the combinatorial complexity of this optimization problem. We theoretically demonstrate that our method generates explanations that are provably robust to worst-case data deletion requests with bounded costs in case of linear models and certain classes of non-linear models. Extensive experimentation with real-world datasets demonstrates the efficacy of the proposed framework.

Leveraging Reinforcement Learning and Large Language Models for Code Optimization

Code optimization is a daunting task that requires a significant level of expertise from experienced programmers. This level of expertise is not sufficient when compared to the rapid development of new hardware architectures. Towards advancing the whole code optimization process, recent approaches rely on machine learning and artificial intelligence techniques. This paper introduces a new framework to decrease the complexity of code optimization. The proposed framework builds on large language models (LLMs) and reinforcement learning (RL) and enables LLMs to receive feedback from their environment (i.e., unit tests) during the fine-tuning process. We compare our framework with existing state-of-the-art models and show that it is more efficient with respect to speed and computational usage, as a result of the decrement in training steps and its applicability to models with fewer parameters. Additionally, our framework reduces the possibility of logical and syntactical errors. Toward evaluating our approach, we run several experiments on the PIE dataset using a CodeT5 language model and RRHF, a new reinforcement learning algorithm. We adopt a variety of evaluation metrics with regards to optimization quality, and speedup. The evaluation results demonstrate that the proposed framework has similar results in comparison with existing models using shorter training times and smaller pre-trained models. In particular, we accomplish an increase of 5.6% and 2.2 over the baseline models concerning the %OP T and SP metrics.

A Neural Network Solves, Explains, and Generates University Math Problems by Program Synthesis and Few-Shot Learning at Human Level

We demonstrate that a neural network pre-trained on text and fine-tuned on code solves mathematics course problems, explains solutions, and generates new questions at a human level. We automatically synthesize programs using few-shot learning and OpenAI's Codex transformer and execute them to solve course problems at 81% automatic accuracy. We curate a new dataset of questions from MIT's largest mathematics courses (Single Variable and Multivariable Calculus, Differential Equations, Introduction to Probability and Statistics, Linear Algebra, and Mathematics for Computer Science) and Columbia University's Computational Linear Algebra. We solve questions from a MATH dataset (on Prealgebra, Algebra, Counting and Probability, Intermediate Algebra, Number Theory, and Precalculus), the latest benchmark of advanced mathematics problems designed to assess mathematical reasoning. We randomly sample questions and generate solutions with multiple modalities, including numbers, equations, and plots. The latest GPT-3 language model pre-trained on text automatically solves only 18.8% of these university questions using zero-shot learning and 30.8% using few-shot learning and the most recent chain of thought prompting. In contrast, program synthesis with few-shot learning using Codex fine-tuned on code generates programs that automatically solve 81% of these questions. Our approach improves the previous state-of-the-art automatic solution accuracy on the benchmark topics from 8.8% to 81.1%. We perform a survey to evaluate the quality and difficulty of generated questions. This work is the first to automatically solve university-level mathematics course questions at a human level and the first work to explain and generate university-level mathematics course questions at scale, a milestone for higher education.

Extracting Mathematical Concepts with Large Language Models

We extract mathematical concepts from mathematical text using generative large language models (LLMs) like ChatGPT, contributing to the field of automatic term extraction (ATE) and mathematical text processing, and also to the study of LLMs themselves. Our work builds on that of others in that we aim for automatic extraction of terms (keywords) in one mathematical field, category theory, using as a corpus the 755 abstracts from a snapshot of the online journal "Theory and Applications of Categories", circa 2020. Where our study diverges from previous work is in (1) providing a more thorough analysis of what makes mathematical term extraction a difficult problem to begin with; (2) paying close attention to inter-annotator disagreements; (3) providing a set of guidelines which both human and machine annotators could use to standardize the extraction process; (4) introducing a new annotation tool to help humans with ATE, applicable to any mathematical field and even beyond mathematics; (5) using prompts to ChatGPT as part of the extraction process, and proposing best practices for such prompts; and (6) raising the question of whether ChatGPT could be used as an annotator on the same level as human experts. Our overall findings are that the matter of mathematical ATE is an interesting field which can benefit from participation by LLMs, but LLMs themselves cannot at this time surpass human performance on it.

Planning with Large Language Models for Code Generation

Existing large language model-based code generation pipelines typically use beam search or sampling algorithms during the decoding process. Although the programs they generate achieve high token-matching-based scores, they often fail to compile or generate incorrect outputs. The main reason is that conventional Transformer decoding algorithms may not be the best choice for code generation. In this work, we propose a novel Transformer decoding algorithm, Planning-Guided Transformer Decoding (PG-TD), that uses a planning algorithm to do lookahead search and guide the Transformer to generate better programs. Specifically, instead of simply optimizing the likelihood of the generated sequences, the Transformer makes use of a planner to generate candidate programs and test them on public test cases. The Transformer can therefore make more informed decisions and generate tokens that will eventually lead to higher-quality programs. We also design a mechanism that shares information between the Transformer and the planner to make our algorithm computationally efficient. We empirically evaluate our framework with several large language models as backbones on public coding challenge benchmarks, showing that 1) it can generate programs that consistently achieve higher performance compared with competing baseline methods; 2) it enables controllable code generation, such as concise codes and highly-commented codes by optimizing modified objective.

SUPER: Evaluating Agents on Setting Up and Executing Tasks from Research Repositories

Given that Large Language Models (LLMs) have made significant progress in writing code, can they now be used to autonomously reproduce results from research repositories? Such a capability would be a boon to the research community, helping researchers validate, understand, and extend prior work. To advance towards this goal, we introduce SUPER, the first benchmark designed to evaluate the capability of LLMs in setting up and executing tasks from research repositories. SUPERaims to capture the realistic challenges faced by researchers working with Machine Learning (ML) and Natural Language Processing (NLP) research repositories. Our benchmark comprises three distinct problem sets: 45 end-to-end problems with annotated expert solutions, 152 sub problems derived from the expert set that focus on specific challenges (e.g., configuring a trainer), and 602 automatically generated problems for larger-scale development. We introduce various evaluation measures to assess both task success and progress, utilizing gold solutions when available or approximations otherwise. We show that state-of-the-art approaches struggle to solve these problems with the best model (GPT-4o) solving only 16.3% of the end-to-end set, and 46.1% of the scenarios. This illustrates the challenge of this task, and suggests that SUPER can serve as a valuable resource for the community to make and measure progress.

Faster Algorithms for Text-to-Pattern Hamming Distances

We study the classic Text-to-Pattern Hamming Distances problem: given a pattern P of length m and a text T of length n, both over a polynomial-size alphabet, compute the Hamming distance between P and T[i, ., . , i+m-1] for every shift i, under the standard Word-RAM model with Theta(log n)-bit words. - We provide an O(nm) time Las Vegas randomized algorithm for this problem, beating the decades-old O(n m log m) running time [Abrahamson, SICOMP 1987]. We also obtain a deterministic algorithm, with a slightly higher O(nm(log mloglog m)^{1/4}) running time. Our randomized algorithm extends to the k-bounded setting, with running time Obig(n+nk{m}big), removing all the extra logarithmic factors from earlier algorithms [Gawrychowski and Uzna\'{n}ski, ICALP 2018; Chan, Golan, Kociumaka, Kopelowitz and Porat, STOC 2020]. - For the (1+epsilon)-approximate version of Text-to-Pattern Hamming Distances, we give an O(epsilon^{-0.93}n) time Monte Carlo randomized algorithm, beating the previous O(epsilon^{-1}n) running time [Kopelowitz and Porat, FOCS 2015; Kopelowitz and Porat, SOSA 2018]. Our approximation algorithm exploits a connection with 3SUM, and uses a combination of Fredman's trick, equality matrix product, and random sampling; in particular, we obtain new results on approximate counting versions of 3SUM and Exact Triangle, which may be of independent interest. Our exact algorithms use a novel combination of hashing, bit-packed FFT, and recursion; in particular, we obtain a faster algorithm for computing the sumset of two integer sets, in the regime when the universe size is close to quadratic in the number of elements. We also prove a fine-grained equivalence between the exact Text-to-Pattern Hamming Distances problem and a range-restricted, counting version of 3SUM.

Qiskit Code Assistant: Training LLMs for generating Quantum Computing Code

Code Large Language Models (Code LLMs) have emerged as powerful tools, revolutionizing the software development landscape by automating the coding process and reducing time and effort required to build applications. This paper focuses on training Code LLMs to specialize in the field of quantum computing. We begin by discussing the unique needs of quantum computing programming, which differ significantly from classical programming approaches or languages. A Code LLM specializing in quantum computing requires a foundational understanding of quantum computing and quantum information theory. However, the scarcity of available quantum code examples and the rapidly evolving field, which necessitates continuous dataset updates, present significant challenges. Moreover, we discuss our work on training Code LLMs to produce high-quality quantum code using the Qiskit library. This work includes an examination of the various aspects of the LLMs used for training and the specific training conditions, as well as the results obtained with our current models. To evaluate our models, we have developed a custom benchmark, similar to HumanEval, which includes a set of tests specifically designed for the field of quantum computing programming using Qiskit. Our findings indicate that our model outperforms existing state-of-the-art models in quantum computing tasks. We also provide examples of code suggestions, comparing our model to other relevant code LLMs. Finally, we introduce a discussion on the potential benefits of Code LLMs for quantum computing computational scientists, researchers, and practitioners. We also explore various features and future work that could be relevant in this context.

Easy2Hard-Bench: Standardized Difficulty Labels for Profiling LLM Performance and Generalization

While generalization over tasks from easy to hard is crucial to profile language models (LLMs), the datasets with fine-grained difficulty annotations for each problem across a broad range of complexity are still blank. Aiming to address this limitation, we present Easy2Hard-Bench, a consistently formatted collection of 6 benchmark datasets spanning various domains, such as mathematics and programming problems, chess puzzles, and reasoning questions. Each problem within these datasets is annotated with numerical difficulty scores. To systematically estimate problem difficulties, we collect abundant performance data on attempts to each problem by humans in the real world or LLMs on the prominent leaderboard. Leveraging the rich performance data, we apply well-established difficulty ranking systems, such as Item Response Theory (IRT) and Glicko-2 models, to uniformly assign numerical difficulty scores to problems. Moreover, datasets in Easy2Hard-Bench distinguish themselves from previous collections by a higher proportion of challenging problems. Through extensive experiments with six state-of-the-art LLMs, we provide a comprehensive analysis of their performance and generalization capabilities across varying levels of difficulty, with the aim of inspiring future research in LLM generalization. The datasets are available at https://huggingface.co/datasets/furonghuang-lab/Easy2Hard-Bench.

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.

Learning to Reason via Program Generation, Emulation, and Search

Program synthesis with language models (LMs) has unlocked a large set of reasoning abilities; code-tuned LMs have proven adept at generating programs that solve a wide variety of algorithmic symbolic manipulation tasks (e.g. word concatenation). However, not all reasoning tasks are easily expressible as code, e.g. tasks involving commonsense reasoning, moral decision-making, and sarcasm understanding. Our goal is to extend an LM's program synthesis skills to such tasks and evaluate the results via pseudo-programs, namely Python programs where some leaf function calls are left undefined. To that end, we propose, Code Generation and Emulated EXecution (CoGEX). CoGEX works by (1) training LMs to generate their own pseudo-programs, (2) teaching them to emulate their generated program's execution, including those leaf functions, allowing the LM's knowledge to fill in the execution gaps; and (3) using them to search over many programs to find an optimal one. To adapt the CoGEX model to a new task, we introduce a method for performing program search to find a single program whose pseudo-execution yields optimal performance when applied to all the instances of a given dataset. We show that our approach yields large improvements compared to standard in-context learning approaches on a battery of tasks, both algorithmic and soft reasoning. This result thus demonstrates that code synthesis can be applied to a much broader class of problems than previously considered. Our released dataset, fine-tuned models, and implementation can be found at https://github.com/nweir127/CoGEX.

SciBench: Evaluating College-Level Scientific Problem-Solving Abilities of Large Language Models

Recent advances in large language models (LLMs) have demonstrated notable progress on many mathematical benchmarks. However, most of these benchmarks only feature problems grounded in junior and senior high school subjects, contain only multiple-choice questions, and are confined to a limited scope of elementary arithmetic operations. To address these issues, this paper introduces an expansive benchmark suite SciBench that aims to systematically examine the reasoning capabilities required for complex scientific problem solving. SciBench contains two carefully curated datasets: an open set featuring a range of collegiate-level scientific problems drawn from mathematics, chemistry, and physics textbooks, and a closed set comprising problems from undergraduate-level exams in computer science and mathematics. Based on the two datasets, we conduct an in-depth benchmark study of two representative LLMs with various prompting strategies. The results reveal that current LLMs fall short of delivering satisfactory performance, with an overall score of merely 35.80%. Furthermore, through a detailed user study, we categorize the errors made by LLMs into ten problem-solving abilities. Our analysis indicates that no single prompting strategy significantly outperforms others and some strategies that demonstrate improvements in certain problem-solving skills result in declines in other skills. We envision that SciBench will catalyze further developments in the reasoning abilities of LLMs, thereby ultimately contributing to scientific research and discovery.

RethinkMCTS: Refining Erroneous Thoughts in Monte Carlo Tree Search for Code Generation

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

A Survey on Machine Learning Solutions for Graph Pattern Extraction

A subgraph is constructed by using a subset of vertices and edges of a given graph. There exist many graph properties that are hereditary for subgraphs. Hence, researchers from different communities have paid a great deal of attention in studying numerous subgraph problems, on top of the ordinary graph problems. Many algorithms are proposed in studying subgraph problems, where one common approach is by extracting the patterns and structures of a given graph. Due to the complex structures of certain types of graphs and to improve overall performances of the existing frameworks, machine learning techniques have recently been employed in dealing with various subgraph problems. In this article, we present a comprehensive review on five well known subgraph problems that have been tackled by using machine learning methods. They are subgraph isomorphism (both counting and matching), maximum common subgraph, community detection and community search problems. We provide an outline of each proposed method, and examine its designs and performances. We also explore non-learning-based algorithms for each problem and a brief discussion is given. We then suggest some promising research directions in this area, hoping that relevant subgraph problems can be tackled by using a similar strategy. Since there is a huge growth in employing machine learning techniques in recent years, we believe that this survey will serve as a good reference point to relevant research communities.

What's Wrong with Your Code Generated by Large Language Models? An Extensive Study

The increasing development of large language models (LLMs) in code generation has drawn significant attention among researchers. To enhance LLM-based code generation ability, current efforts are predominantly directed towards collecting high-quality datasets and leveraging diverse training technologies. However, there is a notable lack of comprehensive studies examining the limitations and boundaries of these existing methods. To bridge this gap, we conducted an extensive empirical study evaluating the performance of three leading closed-source LLMs and four popular open-source LLMs on three commonly used benchmarks. Our investigation, which evaluated the length, cyclomatic complexity and API number of the generated code, revealed that these LLMs face challenges in generating successful code for more complex problems, and tend to produce code that is shorter yet more complicated as compared to canonical solutions. Additionally, we developed a taxonomy of bugs for incorrect codes that includes three categories and 12 sub-categories, and analyze the root cause for common bug types. Furthermore, to better understand the performance of LLMs in real-world projects, we manually created a real-world benchmark comprising 140 code generation tasks. Our analysis highlights distinct differences in bug distributions between actual scenarios and existing benchmarks. Finally, we propose a novel training-free iterative method that introduces self-critique, enabling LLMs to critique and correct their generated code based on bug types and compiler feedback. Experimental results demonstrate that our approach can significantly mitigate bugs and increase the passing rate by 29.2% after two iterations, indicating substantial potential for LLMs to handle more complex problems.

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.

ShortcutsBench: A Large-Scale Real-world Benchmark for API-based Agents

Recent advancements in integrating large language models (LLMs) with application programming interfaces (APIs) have gained significant interest in both academia and industry. These API-based agents, leveraging the strong autonomy and planning capabilities of LLMs, can efficiently solve problems requiring multi-step actions. However, their ability to handle multi-dimensional difficulty levels, diverse task types, and real-world demands through APIs remains unknown. In this paper, we introduce ShortcutsBench, a large-scale benchmark for the comprehensive evaluation of API-based agents in solving tasks with varying levels of difficulty, diverse task types, and real-world demands. ShortcutsBench includes a wealth of real APIs from Apple Inc.'s operating systems, refined user queries from shortcuts, human-annotated high-quality action sequences from shortcut developers, and accurate parameter filling values about primitive parameter types, enum parameter types, outputs from previous actions, and parameters that need to request necessary information from the system or user. Our extensive evaluation of agents built with 5 leading open-source (size >= 57B) and 4 closed-source LLMs (e.g. Gemini-1.5-Pro and GPT-3.5) reveals significant limitations in handling complex queries related to API selection, parameter filling, and requesting necessary information from systems and users. These findings highlight the challenges that API-based agents face in effectively fulfilling real and complex user queries. All datasets, code, and experimental results will be available at https://github.com/eachsheep/shortcutsbench.

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 .

The Jumping Reasoning Curve? Tracking the Evolution of Reasoning Performance in GPT-[n] and o-[n] Models on Multimodal Puzzles

The releases of OpenAI's o1 and o3 mark a significant paradigm shift in Large Language Models towards advanced reasoning capabilities. Notably, o3 outperformed humans in novel problem-solving and skill acquisition on the Abstraction and Reasoning Corpus for Artificial General Intelligence (ARC-AGI). However, this benchmark is limited to symbolic patterns, whereas humans often perceive and reason about multimodal scenarios involving both vision and language data. Thus, there is an urgent need to investigate advanced reasoning capabilities in multimodal tasks. To this end, we track the evolution of the GPT-[n] and o-[n] series models on challenging multimodal puzzles, requiring fine-grained visual perception with abstract or algorithmic reasoning. The superior performance of o1 comes at nearly 750 times the computational cost of GPT-4o, raising concerns about its efficiency. Our results reveal a clear upward trend in reasoning capabilities across model iterations, with notable performance jumps across GPT-series models and subsequently to o1. Nonetheless, we observe that the o1 model still struggles with simple multimodal puzzles requiring abstract reasoning. Furthermore, its performance in algorithmic puzzles remains poor. We plan to continuously track new models in the series and update our results in this paper accordingly. All resources used in this evaluation are openly available https://github.com/declare-lab/LLM-PuzzleTest.