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Mar 11

LLM4DS: Evaluating Large Language Models for Data Science Code Generation

The adoption of Large Language Models (LLMs) for code generation in data science offers substantial potential for enhancing tasks such as data manipulation, statistical analysis, and visualization. However, the effectiveness of these models in the data science domain remains underexplored. This paper presents a controlled experiment that empirically assesses the performance of four leading LLM-based AI assistants-Microsoft Copilot (GPT-4 Turbo), ChatGPT (o1-preview), Claude (3.5 Sonnet), and Perplexity Labs (Llama-3.1-70b-instruct)-on a diverse set of data science coding challenges sourced from the Stratacratch platform. Using the Goal-Question-Metric (GQM) approach, we evaluated each model's effectiveness across task types (Analytical, Algorithm, Visualization) and varying difficulty levels. Our findings reveal that all models exceeded a 50% baseline success rate, confirming their capability beyond random chance. Notably, only ChatGPT and Claude achieved success rates significantly above a 60% baseline, though none of the models reached a 70% threshold, indicating limitations in higher standards. ChatGPT demonstrated consistent performance across varying difficulty levels, while Claude's success rate fluctuated with task complexity. Hypothesis testing indicates that task type does not significantly impact success rate overall. For analytical tasks, efficiency analysis shows no significant differences in execution times, though ChatGPT tended to be slower and less predictable despite high success rates. This study provides a structured, empirical evaluation of LLMs in data science, delivering insights that support informed model selection tailored to specific task demands. Our findings establish a framework for future AI assessments, emphasizing the value of rigorous evaluation beyond basic accuracy measures.

Bayesian Estimation of Differential Privacy

Algorithms such as Differentially Private SGD enable training machine learning models with formal privacy guarantees. However, there is a discrepancy between the protection that such algorithms guarantee in theory and the protection they afford in practice. An emerging strand of work empirically estimates the protection afforded by differentially private training as a confidence interval for the privacy budget varepsilon spent on training a model. Existing approaches derive confidence intervals for varepsilon from confidence intervals for the false positive and false negative rates of membership inference attacks. Unfortunately, obtaining narrow high-confidence intervals for epsilon using this method requires an impractically large sample size and training as many models as samples. We propose a novel Bayesian method that greatly reduces sample size, and adapt and validate a heuristic to draw more than one sample per trained model. Our Bayesian method exploits the hypothesis testing interpretation of differential privacy to obtain a posterior for varepsilon (not just a confidence interval) from the joint posterior of the false positive and false negative rates of membership inference attacks. For the same sample size and confidence, we derive confidence intervals for varepsilon around 40% narrower than prior work. The heuristic, which we adapt from label-only DP, can be used to further reduce the number of trained models needed to get enough samples by up to 2 orders of magnitude.

Are Large Language Models Good Statisticians?

Large Language Models (LLMs) have demonstrated impressive capabilities across a range of scientific tasks including mathematics, physics, and chemistry. Despite their successes, the effectiveness of LLMs in handling complex statistical tasks remains systematically under-explored. To bridge this gap, we introduce StatQA, a new benchmark designed for statistical analysis tasks. StatQA comprises 11,623 examples tailored to evaluate LLMs' proficiency in specialized statistical tasks and their applicability assessment capabilities, particularly for hypothesis testing methods. We systematically experiment with representative LLMs using various prompting strategies and show that even state-of-the-art models such as GPT-4o achieve a best performance of only 64.83%, indicating significant room for improvement. Notably, while open-source LLMs (e.g. LLaMA-3) show limited capability, those fine-tuned ones exhibit marked improvements, outperforming all in-context learning-based methods (e.g. GPT-4o). Moreover, our comparative human experiments highlight a striking contrast in error types between LLMs and humans: LLMs primarily make applicability errors, whereas humans mostly make statistical task confusion errors. This divergence highlights distinct areas of proficiency and deficiency, suggesting that combining LLM and human expertise could lead to complementary strengths, inviting further investigation into their collaborative potential.

A Hybrid Cable-Driven Robot for Non-Destructive Leafy Plant Monitoring and Mass Estimation using Structure from Motion

We propose a novel hybrid cable-based robot with manipulator and camera for high-accuracy, medium-throughput plant monitoring in a vertical hydroponic farm and, as an example application, demonstrate non-destructive plant mass estimation. Plant monitoring with high temporal and spatial resolution is important to both farmers and researchers to detect anomalies and develop predictive models for plant growth. The availability of high-quality, off-the-shelf structure-from-motion (SfM) and photogrammetry packages has enabled a vibrant community of roboticists to apply computer vision for non-destructive plant monitoring. While existing approaches tend to focus on either high-throughput (e.g. satellite, unmanned aerial vehicle (UAV), vehicle-mounted, conveyor-belt imagery) or high-accuracy/robustness to occlusions (e.g. turn-table scanner or robot arm), we propose a middle-ground that achieves high accuracy with a medium-throughput, highly automated robot. Our design pairs the workspace scalability of a cable-driven parallel robot (CDPR) with the dexterity of a 4 degree-of-freedom (DoF) robot arm to autonomously image many plants from a variety of viewpoints. We describe our robot design and demonstrate it experimentally by collecting daily photographs of 54 plants from 64 viewpoints each. We show that our approach can produce scientifically useful measurements, operate fully autonomously after initial calibration, and produce better reconstructions and plant property estimates than those of over-canopy methods (e.g. UAV). As example applications, we show that our system can successfully estimate plant mass with a Mean Absolute Error (MAE) of 0.586g and, when used to perform hypothesis testing on the relationship between mass and age, produces p-values comparable to ground-truth data (p=0.0020 and p=0.0016, respectively).

Preserving Statistical Validity in Adaptive Data Analysis

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

Why think step by step? Reasoning emerges from the locality of experience

Humans have a powerful and mysterious capacity to reason. By working through a series of purely mental steps, we can make inferences we would not be capable of making directly -- despite the fact that we get no additional data from the world. Similarly, when large language models generate a series of intermediate steps (a chain of thought) before answering a question, they often produce better answers than they otherwise would. We investigate why and how chain-of-thought reasoning is useful in language models, testing the hypothesis that reasoning is effective when training data consists of local clusters of variables that influence each other strongly. These training conditions enable the chaining of accurate local inferences in order to estimate relationships between variables that were not seen together in training. We prove that there will exist a "reasoning gap", where reasoning through intermediate variables improves inference, for the simple case of an autoregressive density estimator trained on local samples from a chain-structured probabilistic model. We then test our hypothesis empirically in more complex models, training an autoregressive language model on samples from Bayes nets but only including a subset of variables in each sample. We test language models' ability to match conditional probabilities with and without intermediate reasoning steps, finding that intermediate steps are only helpful when the training data is locally structured with respect to dependencies between variables and that the combination of locally-structured observations and reasoning is much more data-efficient than training on all variables. Our results illustrate how the effectiveness of reasoning step by step is rooted in the local statistical structure of the training data.

Phenomenal Yet Puzzling: Testing Inductive Reasoning Capabilities of Language Models with Hypothesis Refinement

The ability to derive underlying principles from a handful of observations and then generalize to novel situations -- known as inductive reasoning -- is central to human intelligence. Prior work suggests that language models (LMs) often fall short on inductive reasoning, despite achieving impressive success on research benchmarks. In this work, we conduct a systematic study of the inductive reasoning capabilities of LMs through iterative hypothesis refinement, a technique that more closely mirrors the human inductive process than standard input-output prompting. Iterative hypothesis refinement employs a three-step process: proposing, selecting, and refining hypotheses in the form of textual rules. By examining the intermediate rules, we observe that LMs are phenomenal hypothesis proposers (i.e., generating candidate rules), and when coupled with a (task-specific) symbolic interpreter that is able to systematically filter the proposed set of rules, this hybrid approach achieves strong results across inductive reasoning benchmarks that require inducing causal relations, language-like instructions, and symbolic concepts. However, they also behave as puzzling inductive reasoners, showing notable performance gaps between rule induction (i.e., identifying plausible rules) and rule application (i.e., applying proposed rules to instances), suggesting that LMs are proposing hypotheses without being able to actually apply the rules. Through empirical and human analyses, we further reveal several discrepancies between the inductive reasoning processes of LMs and humans, shedding light on both the potentials and limitations of using LMs in inductive reasoning tasks.

LOVA3: Learning to Visual Question Answering, Asking and Assessment

Question answering, asking, and assessment are three innate human traits crucial for understanding the world and acquiring knowledge. By enhancing these capabilities, humans can more effectively utilize data, leading to better comprehension and learning outcomes. However, current Multimodal Large Language Models (MLLMs) primarily focus on question answering, often neglecting the full potential of questioning and assessment skills. In this study, we introduce LOVA3, an innovative framework named ``Learning tO Visual Question Answering, Asking and Assessment,'' designed to equip MLLMs with these additional capabilities. Our approach involves the creation of two supplementary training tasks GenQA and EvalQA, aiming at fostering the skills of asking and assessing questions in the context of images. To develop the questioning ability, we compile a comprehensive set of multimodal foundational tasks. For assessment, we introduce a new benchmark called EvalQABench, comprising 64,000 training samples (split evenly between positive and negative samples) and 5,000 testing samples. We posit that enhancing MLLMs with the capabilities to answer, ask, and assess questions will improve their multimodal comprehension and lead to better performance. We validate our hypothesis by training an MLLM using the LOVA3 framework and testing it on 10 multimodal benchmarks. The results demonstrate consistent performance improvements, thereby confirming the efficacy of our approach.

Inference Scaling scriptsizeFLaws: The Limits of LLM Resampling with Imperfect Verifiers

Recent research has generated hope that inference scaling could allow weaker language models to match or exceed the accuracy of stronger models, such as by repeatedly sampling solutions to a coding problem until it passes unit tests. The central thesis of this paper is that there is no free lunch for inference scaling: indefinite accuracy improvement through resampling can only be realized if the "verifier" (in this case, a set of unit tests) is perfect. When the verifier is imperfect, as it almost always is in domains such as reasoning or coding (for example, unit tests have imperfect coverage), there is a nonzero probability of false positives: incorrect solutions that pass the verifier. Resampling cannot decrease this probability, so it imposes an upper bound to the accuracy of resampling-based inference scaling even with an infinite compute budget. We find that there is a very strong correlation between the model's single-sample accuracy (i.e. accuracy without unit tests) and its false positive rate on coding benchmarks HumanEval and MBPP, whose unit tests have limited coverage. Therefore, no amount of inference scaling of weaker models can enable them to match the single-sample accuracy of a sufficiently strong model (Fig. 1a). When we consider that false positives have a negative utility compared to abstaining from producing a solution, it bends the inference scaling curve further downward. Empirically, we find that the optimal number of samples can be less than 10 under realistic assumptions (Fig. 1b). Finally, we show that beyond accuracy, false positives may have other undesirable qualities, such as poor adherence to coding style conventions.

MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

Multiple Choice Questions: Reasoning Makes Large Language Models (LLMs) More Self-Confident Even When They Are Wrong

One of the most widely used methods to evaluate LLMs are Multiple Choice Question (MCQ) tests. MCQ benchmarks enable the testing of LLM knowledge on almost any topic at scale as the results can be processed automatically. To help the LLM answer, a few examples called few shots can be included in the prompt. Moreover, the LLM can be asked to answer the question directly with the selected option or to first provide the reasoning and then the selected answer, which is known as chain of thought. In addition to checking whether the selected answer is correct, the evaluation can look at the LLM-estimated probability of its response as an indication of the confidence of the LLM in the response. In this paper, we study how the LLM confidence in its answer depends on whether the model has been asked to answer directly or to provide the reasoning before answering. The results of the evaluation of questions on a wide range of topics in seven different models show that LLMs are more confident in their answers when they provide reasoning before the answer. This occurs regardless of whether the selected answer is correct. Our hypothesis is that this behavior is due to the reasoning that modifies the probability of the selected answer, as the LLM predicts the answer based on the input question and the reasoning that supports the selection made. Therefore, LLM estimated probabilities seem to have intrinsic limitations that should be understood in order to use them in evaluation procedures. Interestingly, the same behavior has been observed in humans, for whom explaining an answer increases confidence in its correctness.

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.

Tortured phrases: A dubious writing style emerging in science. Evidence of critical issues affecting established journals

Probabilistic text generators have been used to produce fake scientific papers for more than a decade. Such nonsensical papers are easily detected by both human and machine. Now more complex AI-powered generation techniques produce texts indistinguishable from that of humans and the generation of scientific texts from a few keywords has been documented. Our study introduces the concept of tortured phrases: unexpected weird phrases in lieu of established ones, such as 'counterfeit consciousness' instead of 'artificial intelligence.' We combed the literature for tortured phrases and study one reputable journal where these concentrated en masse. Hypothesising the use of advanced language models we ran a detector on the abstracts of recent articles of this journal and on several control sets. The pairwise comparisons reveal a concentration of abstracts flagged as 'synthetic' in the journal. We also highlight irregularities in its operation, such as abrupt changes in editorial timelines. We substantiate our call for investigation by analysing several individual dubious articles, stressing questionable features: tortured writing style, citation of non-existent literature, and unacknowledged image reuse. Surprisingly, some websites offer to rewrite texts for free, generating gobbledegook full of tortured phrases. We believe some authors used rewritten texts to pad their manuscripts. We wish to raise the awareness on publications containing such questionable AI-generated or rewritten texts that passed (poor) peer review. Deception with synthetic texts threatens the integrity of the scientific literature.

Evidence Inference 2.0: More Data, Better Models

How do we most effectively treat a disease or condition? Ideally, we could consult a database of evidence gleaned from clinical trials to answer such questions. Unfortunately, no such database exists; clinical trial results are instead disseminated primarily via lengthy natural language articles. Perusing all such articles would be prohibitively time-consuming for healthcare practitioners; they instead tend to depend on manually compiled systematic reviews of medical literature to inform care. NLP may speed this process up, and eventually facilitate immediate consult of published evidence. The Evidence Inference dataset was recently released to facilitate research toward this end. This task entails inferring the comparative performance of two treatments, with respect to a given outcome, from a particular article (describing a clinical trial) and identifying supporting evidence. For instance: Does this article report that chemotherapy performed better than surgery for five-year survival rates of operable cancers? In this paper, we collect additional annotations to expand the Evidence Inference dataset by 25\%, provide stronger baseline models, systematically inspect the errors that these make, and probe dataset quality. We also release an abstract only (as opposed to full-texts) version of the task for rapid model prototyping. The updated corpus, documentation, and code for new baselines and evaluations are available at http://evidence-inference.ebm-nlp.com/.

Methods2Test: A dataset of focal methods mapped to test cases

Unit testing is an essential part of the software development process, which helps to identify issues with source code in early stages of development and prevent regressions. Machine learning has emerged as viable approach to help software developers generate automated unit tests. However, generating reliable unit test cases that are semantically correct and capable of catching software bugs or unintended behavior via machine learning requires large, metadata-rich, datasets. In this paper we present Methods2Test: A dataset of focal methods mapped to test cases: a large, supervised dataset of test cases mapped to corresponding methods under test (i.e., focal methods). This dataset contains 780,944 pairs of JUnit tests and focal methods, extracted from a total of 91,385 Java open source projects hosted on GitHub with licenses permitting re-distribution. The main challenge behind the creation of the Methods2Test was to establish a reliable mapping between a test case and the relevant focal method. To this aim, we designed a set of heuristics, based on developers' best practices in software testing, which identify the likely focal method for a given test case. To facilitate further analysis, we store a rich set of metadata for each method-test pair in JSON-formatted files. Additionally, we extract textual corpus from the dataset at different context levels, which we provide both in raw and tokenized forms, in order to enable researchers to train and evaluate machine learning models for Automated Test Generation. Methods2Test is publicly available at: https://github.com/microsoft/methods2test

Effective Test Generation Using Pre-trained Large Language Models and Mutation Testing

One of the critical phases in software development is software testing. Testing helps with identifying potential bugs and reducing maintenance costs. The goal of automated test generation tools is to ease the development of tests by suggesting efficient bug-revealing tests. Recently, researchers have leveraged Large Language Models (LLMs) of code to generate unit tests. While the code coverage of generated tests was usually assessed, the literature has acknowledged that the coverage is weakly correlated with the efficiency of tests in bug detection. To improve over this limitation, in this paper, we introduce MuTAP for improving the effectiveness of test cases generated by LLMs in terms of revealing bugs by leveraging mutation testing. Our goal is achieved by augmenting prompts with surviving mutants, as those mutants highlight the limitations of test cases in detecting bugs. MuTAP is capable of generating effective test cases in the absence of natural language descriptions of the Program Under Test (PUTs). We employ different LLMs within MuTAP and evaluate their performance on different benchmarks. Our results show that our proposed method is able to detect up to 28% more faulty human-written code snippets. Among these, 17% remained undetected by both the current state-of-the-art fully automated test generation tool (i.e., Pynguin) and zero-shot/few-shot learning approaches on LLMs. Furthermore, MuTAP achieves a Mutation Score (MS) of 93.57% on synthetic buggy code, outperforming all other approaches in our evaluation. Our findings suggest that although LLMs can serve as a useful tool to generate test cases, they require specific post-processing steps to enhance the effectiveness of the generated test cases which may suffer from syntactic or functional errors and may be ineffective in detecting certain types of bugs and testing corner cases PUTs.

An Efficient Tester-Learner for Halfspaces

We give the first efficient algorithm for learning halfspaces in the testable learning model recently defined by Rubinfeld and Vasilyan (2023). In this model, a learner certifies that the accuracy of its output hypothesis is near optimal whenever the training set passes an associated test, and training sets drawn from some target distribution -- e.g., the Gaussian -- must pass the test. This model is more challenging than distribution-specific agnostic or Massart noise models where the learner is allowed to fail arbitrarily if the distributional assumption does not hold. We consider the setting where the target distribution is Gaussian (or more generally any strongly log-concave distribution) in d dimensions and the noise model is either Massart or adversarial (agnostic). For Massart noise, our tester-learner runs in polynomial time and outputs a hypothesis with (information-theoretically optimal) error opt + epsilon for any strongly log-concave target distribution. For adversarial noise, our tester-learner obtains error O(opt) + epsilon in polynomial time when the target distribution is Gaussian; for strongly log-concave distributions, we obtain O(opt) + epsilon in quasipolynomial time. Prior work on testable learning ignores the labels in the training set and checks that the empirical moments of the covariates are close to the moments of the base distribution. Here we develop new tests of independent interest that make critical use of the labels and combine them with the moment-matching approach of Gollakota et al. (2023). This enables us to simulate a variant of the algorithm of Diakonikolas et al. (2020) for learning noisy halfspaces using nonconvex SGD but in the testable learning setting.

Hypothesis Search: Inductive Reasoning with Language Models

Inductive reasoning is a core problem-solving capacity: humans can identify underlying principles from a few examples, which can then be robustly generalized to novel scenarios. Recent work has evaluated large language models (LLMs) on inductive reasoning tasks by directly prompting them yielding "in context learning." This can work well for straightforward inductive tasks, but performs very poorly on more complex tasks such as the Abstraction and Reasoning Corpus (ARC). In this work, we propose to improve the inductive reasoning ability of LLMs by generating explicit hypotheses at multiple levels of abstraction: we prompt the LLM to propose multiple abstract hypotheses about the problem, in natural language, then implement the natural language hypotheses as concrete Python programs. These programs can be directly verified by running on the observed examples and generalized to novel inputs. Because of the prohibitive cost of generation with state-of-the-art LLMs, we consider a middle step to filter the set of hypotheses that will be implemented into programs: we either ask the LLM to summarize into a smaller set of hypotheses, or ask human annotators to select a subset of the hypotheses. We verify our pipeline's effectiveness on the ARC visual inductive reasoning benchmark, its variant 1D-ARC, and string transformation dataset SyGuS. On a random 40-problem subset of ARC, our automated pipeline using LLM summaries achieves 27.5% accuracy, significantly outperforming the direct prompting baseline (accuracy of 12.5%). With the minimal human input of selecting from LLM-generated candidates, the performance is boosted to 37.5%. (And we argue this is a lower bound on the performance of our approach without filtering.) Our ablation studies show that abstract hypothesis generation and concrete program representations are both beneficial for LLMs to perform inductive reasoning tasks.

Large Language Models as Biomedical Hypothesis Generators: A Comprehensive Evaluation

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and potentially accelerate biomedical discovery. In this paper, we present a comprehensive evaluation of LLMs as biomedical hypothesis generators. We construct a dataset of background-hypothesis pairs from biomedical literature, carefully partitioned into training, seen, and unseen test sets based on publication date to mitigate data contamination. Using this dataset, we assess the hypothesis generation capabilities of top-tier instructed models in zero-shot, few-shot, and fine-tuning settings. To enhance the exploration of uncertainty, a crucial aspect of scientific discovery, we incorporate tool use and multi-agent interactions in our evaluation framework. Furthermore, we propose four novel metrics grounded in extensive literature review to evaluate the quality of generated hypotheses, considering both LLM-based and human assessments. Our experiments yield two key findings: 1) LLMs can generate novel and validated hypotheses, even when tested on literature unseen during training, and 2) Increasing uncertainty through multi-agent interactions and tool use can facilitate diverse candidate generation and improve zero-shot hypothesis generation performance. However, we also observe that the integration of additional knowledge through few-shot learning and tool use may not always lead to performance gains, highlighting the need for careful consideration of the type and scope of external knowledge incorporated. These findings underscore the potential of LLMs as powerful aids in biomedical hypothesis generation and provide valuable insights to guide further research in this area.

Revisiting the Hypothesis: Do pretrained Transformers Learn In-Context by Gradient Descent?

The emergence of In-Context Learning (ICL) in LLMs remains a significant phenomenon with little understanding. To explain ICL, recent studies try to theoretically connect it to Gradient Descent (GD). We ask, does this connection hold up in actual pre-trained models? We highlight the limiting assumptions in prior works that make their context considerably different from the practical context in which language models are trained. For example, the theoretical hand-constructed weights used in these studies have properties that don't match those of real LLMs. Furthermore, their experimental verification uses ICL objective (training models explicitly for ICL), which differs from the emergent ICL in the wild. We also look for evidence in real models. We observe that ICL and GD have different sensitivity to the order in which they observe demonstrations. Finally, we probe and compare the ICL vs. GD hypothesis in a natural setting. We conduct comprehensive empirical analyses on language models pre-trained on natural data (LLaMa-7B). Our comparisons of three performance metrics highlight the inconsistent behavior of ICL and GD as a function of various factors such as datasets, models, and the number of demonstrations. We observe that ICL and GD modify the output distribution of language models differently. These results indicate that the equivalence between ICL and GD remains an open hypothesis and calls for further studies.

The Information Pathways Hypothesis: Transformers are Dynamic Self-Ensembles

Transformers use the dense self-attention mechanism which gives a lot of flexibility for long-range connectivity. Over multiple layers of a deep transformer, the number of possible connectivity patterns increases exponentially. However, very few of these contribute to the performance of the network, and even fewer are essential. We hypothesize that there are sparsely connected sub-networks within a transformer, called information pathways which can be trained independently. However, the dynamic (i.e., input-dependent) nature of these pathways makes it difficult to prune dense self-attention during training. But the overall distribution of these pathways is often predictable. We take advantage of this fact to propose Stochastically Subsampled self-Attention (SSA) - a general-purpose training strategy for transformers that can reduce both the memory and computational cost of self-attention by 4 to 8 times during training while also serving as a regularization method - improving generalization over dense training. We show that an ensemble of sub-models can be formed from the subsampled pathways within a network, which can achieve better performance than its densely attended counterpart. We perform experiments on a variety of NLP, computer vision and graph learning tasks in both generative and discriminative settings to provide empirical evidence for our claims and show the effectiveness of the proposed method.

Analysis on Riemann Hypothesis with Cross Entropy Optimization and Reasoning

In this paper, we present a novel framework for the analysis of Riemann Hypothesis [27], which is composed of three key components: a) probabilistic modeling with cross entropy optimization and reasoning; b) the application of the law of large numbers; c) the application of mathematical inductions. The analysis is mainly conducted by virtue of probabilistic modeling of cross entropy optimization and reasoning with rare event simulation techniques. The application of the law of large numbers [2, 3, 6] and the application of mathematical inductions make the analysis of Riemann Hypothesis self-contained and complete to make sure that the whole complex plane is covered as conjectured in Riemann Hypothesis. We also discuss the method of enhanced top-p sampling with large language models (LLMs) for reasoning, where next token prediction is not just based on the estimated probabilities of each possible token in the current round but also based on accumulated path probabilities among multiple top-k chain of thoughts (CoTs) paths. The probabilistic modeling of cross entropy optimization and reasoning may suit well with the analysis of Riemann Hypothesis as Riemann Zeta functions are inherently dealing with the sums of infinite components of a complex number series. We hope that our analysis in this paper could shed some light on some of the insights of Riemann Hypothesis. The framework and techniques presented in this paper, coupled with recent developments with chain of thought (CoT) or diagram of thought (DoT) reasoning in large language models (LLMs) with reinforcement learning (RL) [1, 7, 18, 21, 24, 34, 39-41], could pave the way for eventual proof of Riemann Hypothesis [27].

Revisiting the Superficial Alignment Hypothesis

The Superficial Alignment Hypothesis posits that almost all of a language model's abilities and knowledge are learned during pre-training, while post-training is about giving a model the right style and format. We re-examine these claims by empirically studying the scaling behavior of post-training with increasing finetuning examples and evaluating them using objective task-specific standardized benchmarks. Through experiments with the Llama-3, Mistral, and Llama-2 model families of multiple sizes, we observe that, similar to the pre-training scaling laws, post-training task performance scales as a power law against the number of finetuning examples. This power law relationship holds across a broad array of capabilities, including mathematical reasoning, coding, instruction following, and multihop-reasoning. In addition, for tasks like math and multihop reasoning, we observe that a handful of examples merely align the model stylistically but do not saturate performance on the benchmarks. Model performance is instead correlated with its reasoning ability and it improves significantly with more examples, illustrating the need for holistic evaluation programs leveraging objective benchmarks in addition to measurement of alignment to human preferences. We also observe that language models are not necessarily limited to using knowledge learned during pre-training. With appropriate post-training, a model's ability to integrate new knowledge greatly improves on downstream tasks like multihop question-answering. Taken together, these results shed new light on the Superficial Alignment Hypothesis, suggesting that it is, at best, an over-simplification.

DiffPose: Multi-hypothesis Human Pose Estimation using Diffusion models

Traditionally, monocular 3D human pose estimation employs a machine learning model to predict the most likely 3D pose for a given input image. However, a single image can be highly ambiguous and induces multiple plausible solutions for the 2D-3D lifting step which results in overly confident 3D pose predictors. To this end, we propose DiffPose, a conditional diffusion model, that predicts multiple hypotheses for a given input image. In comparison to similar approaches, our diffusion model is straightforward and avoids intensive hyperparameter tuning, complex network structures, mode collapse, and unstable training. Moreover, we tackle a problem of the common two-step approach that first estimates a distribution of 2D joint locations via joint-wise heatmaps and consecutively approximates them based on first- or second-moment statistics. Since such a simplification of the heatmaps removes valid information about possibly correct, though labeled unlikely, joint locations, we propose to represent the heatmaps as a set of 2D joint candidate samples. To extract information about the original distribution from these samples we introduce our embedding transformer that conditions the diffusion model. Experimentally, we show that DiffPose slightly improves upon the state of the art for multi-hypothesis pose estimation for simple poses and outperforms it by a large margin for highly ambiguous poses.

Stabilizing the Lottery Ticket Hypothesis

Pruning is a well-established technique for removing unnecessary structure from neural networks after training to improve the performance of inference. Several recent results have explored the possibility of pruning at initialization time to provide similar benefits during training. In particular, the "lottery ticket hypothesis" conjectures that typical neural networks contain small subnetworks that can train to similar accuracy in a commensurate number of steps. The evidence for this claim is that a procedure based on iterative magnitude pruning (IMP) reliably finds such subnetworks retroactively on small vision tasks. However, IMP fails on deeper networks, and proposed methods to prune before training or train pruned networks encounter similar scaling limitations. In this paper, we argue that these efforts have struggled on deeper networks because they have focused on pruning precisely at initialization. We modify IMP to search for subnetworks that could have been obtained by pruning early in training (0.1% to 7% through) rather than at iteration 0. With this change, it finds small subnetworks of deeper networks (e.g., 80% sparsity on Resnet-50) that can complete the training process to match the accuracy of the original network on more challenging tasks (e.g., ImageNet). In situations where IMP fails at iteration 0, the accuracy benefits of delaying pruning accrue rapidly over the earliest iterations of training. To explain these behaviors, we study subnetwork "stability," finding that - as accuracy improves in this fashion - IMP subnetworks train to parameters closer to those of the full network and do so with improved consistency in the face of gradient noise. These results offer new insights into the opportunity to prune large-scale networks early in training and the behaviors underlying the lottery ticket hypothesis

The Lottery Ticket Hypothesis: Finding Sparse, Trainable Neural Networks

Neural network pruning techniques can reduce the parameter counts of trained networks by over 90%, decreasing storage requirements and improving computational performance of inference without compromising accuracy. However, contemporary experience is that the sparse architectures produced by pruning are difficult to train from the start, which would similarly improve training performance. We find that a standard pruning technique naturally uncovers subnetworks whose initializations made them capable of training effectively. Based on these results, we articulate the "lottery ticket hypothesis:" dense, randomly-initialized, feed-forward networks contain subnetworks ("winning tickets") that - when trained in isolation - reach test accuracy comparable to the original network in a similar number of iterations. The winning tickets we find have won the initialization lottery: their connections have initial weights that make training particularly effective. We present an algorithm to identify winning tickets and a series of experiments that support the lottery ticket hypothesis and the importance of these fortuitous initializations. We consistently find winning tickets that are less than 10-20% of the size of several fully-connected and convolutional feed-forward architectures for MNIST and CIFAR10. Above this size, the winning tickets that we find learn faster than the original network and reach higher test accuracy.

How susceptible are LLMs to Logical Fallacies?

This paper investigates the rational thinking capability of Large Language Models (LLMs) in multi-round argumentative debates by exploring the impact of fallacious arguments on their logical reasoning performance. More specifically, we present Logic Competence Measurement Benchmark (LOGICOM), a diagnostic benchmark to assess the robustness of LLMs against logical fallacies. LOGICOM involves two agents: a persuader and a debater engaging in a multi-round debate on a controversial topic, where the persuader tries to convince the debater of the correctness of its claim. First, LOGICOM assesses the potential of LLMs to change their opinions through reasoning. Then, it evaluates the debater's performance in logical reasoning by contrasting the scenario where the persuader employs logical fallacies against one where logical reasoning is used. We use this benchmark to evaluate the performance of GPT-3.5 and GPT-4 using a dataset containing controversial topics, claims, and reasons supporting them. Our findings indicate that both GPT-3.5 and GPT-4 can adjust their opinion through reasoning. However, when presented with logical fallacies, GPT-3.5 and GPT-4 are erroneously convinced 41% and 69% more often, respectively, compared to when logical reasoning is used. Finally, we introduce a new dataset containing over 5k pairs of logical vs. fallacious arguments. The source code and dataset of this work are made publicly available.

Enhancing Large Language Models for Text-to-Testcase Generation

Context: Test-driven development (TDD) is a widely employed software development practice that involves developing test cases based on requirements prior to writing the code. Although various methods for automated test case generation have been proposed, they are not specifically tailored for TDD, where requirements instead of code serve as input. Objective: In this paper, we introduce a text-to-testcase generation approach based on a large language model (GPT-3.5) that is fine-tuned on our curated dataset with an effective prompt design. Method: Our approach involves enhancing the capabilities of basic GPT-3.5 for text-to-testcase generation task that is fine-tuned on our curated dataset with an effective prompting design. We evaluated the effectiveness of our approach using a span of five large-scale open-source software projects. Results: Our approach generated 7k test cases for open source projects, achieving 78.5% syntactic correctness, 67.09% requirement alignment, and 61.7% code coverage, which substantially outperforms all other LLMs (basic GPT-3.5, Bloom, and CodeT5). In addition, our ablation study demonstrates the substantial performance improvement of the fine-tuning and prompting components of the GPT-3.5 model. Conclusions: These findings lead us to conclude that fine-tuning and prompting should be considered in the future when building a language model for the text-to-testcase generation task

Scissorhands: Exploiting the Persistence of Importance Hypothesis for LLM KV Cache Compression at Test Time

Large language models(LLMs) have sparked a new wave of exciting AI applications. Hosting these models at scale requires significant memory resources. One crucial memory bottleneck for the deployment stems from the context window. It is commonly recognized that model weights are memory hungry; however, the size of key-value embedding stored during the generation process (KV cache) can easily surpass the model size. The enormous size of the KV cache puts constraints on the inference batch size, which is crucial for high throughput inference workload. Inspired by an interesting observation of the attention scores, we hypothesize the persistence of importance: only pivotal tokens, which had a substantial influence at one step, will significantly influence future generations. Based on our empirical verification and theoretical analysis around this hypothesis, we propose Scissorhands, a system that maintains the memory usage of the KV cache at a fixed budget without finetuning the model. In essence, Scissorhands manages the KV cache by storing the pivotal tokens with a higher probability. We validate that Scissorhands reduces the inference memory usage of the KV cache by up to 5X without compromising model quality. We further demonstrate that Scissorhands can be combined with 4-bit quantization, traditionally used to compress model weights, to achieve up to 20X compression.

Domain constraints improve risk prediction when outcome data is missing

Machine learning models are often trained to predict the outcome resulting from a human decision. For example, if a doctor decides to test a patient for disease, will the patient test positive? A challenge is that historical decision-making determines whether the outcome is observed: we only observe test outcomes for patients doctors historically tested. Untested patients, for whom outcomes are unobserved, may differ from tested patients along observed and unobserved dimensions. We propose a Bayesian model class which captures this setting. The purpose of the model is to accurately estimate risk for both tested and untested patients. Estimating this model is challenging due to the wide range of possibilities for untested patients. To address this, we propose two domain constraints which are plausible in health settings: a prevalence constraint, where the overall disease prevalence is known, and an expertise constraint, where the human decision-maker deviates from purely risk-based decision-making only along a constrained feature set. We show theoretically and on synthetic data that domain constraints improve parameter inference. We apply our model to a case study of cancer risk prediction, showing that the model's inferred risk predicts cancer diagnoses, its inferred testing policy captures known public health policies, and it can identify suboptimalities in test allocation. Though our case study is in healthcare, our analysis reveals a general class of domain constraints which can improve model estimation in many settings.

AsserT5: Test Assertion Generation Using a Fine-Tuned Code Language Model

Writing good software tests can be challenging, therefore approaches that support developers are desirable. While generating complete tests automatically is such an approach commonly proposed in research, developers may already have specific test scenarios in mind and thus just require help in selecting the most suitable test assertions for these scenarios. This can be done using deep learning models to predict assertions for given test code. Prior research on assertion generation trained these models specifically for the task, raising the question how much the use of larger models pre-trained on code that have emerged since then can improve their performance. In particular, while abstracting identifiers has been shown to improve specifically trained models, it remains unclear whether this also generalises to models pre-trained on non-abstracted code. Finally, even though prior work demonstrated high accuracy it remains unclear how this translates into the effectiveness of the assertions at their intended application -- finding faults. To shed light on these open questions, in this paper we propose AsserT5, a new model based on the pre-trained CodeT5 model, and use this to empirically study assertion generation. We find that the abstraction and the inclusion of the focal method are useful also for a fine-tuned pre-trained model, resulting in test assertions that match the ground truth assertions precisely in up to 59.5\% of cases, more than twice as precise as prior models. However, evaluation on real bugs from the Defects4J dataset shows that out of 138 bugs detectable with assertions in real-world projects, AsserT5 was only able to suggest fault-finding assertions for 33, indicating the need for further improvements.

Improve Machine Learning carbon footprint using Nvidia GPU and Mixed Precision training for classification models -- Part I

This is the 1st part of the dissertation for my master degree and compares the power consumption using the default floating point (32bit) and Nvidia mixed precision (16bit and 32bit) while training a classification ML model. A custom PC with specific hardware was built to perform the experiments, and different ML hyper-parameters, such as batch size, neurons, and epochs, were chosen to build Deep Neural Networks (DNN). Additionally, various software was used during the experiments to collect the power consumption data in Watts from the Graphics Processing Unit (GPU), Central Processing Unit (CPU), Random Access Memory (RAM) and manually from a wattmeter connected to the wall. A benchmarking test with default hyper parameter values for the DNN was used as a reference, while the experiments used a combination of different settings. The results were recorded in Excel, and descriptive statistics were chosen to calculate the mean between the groups and compare them using graphs and tables. The outcome was positive when using mixed precision combined with specific hyper-parameters. Compared to the benchmarking, the optimisation for the classification reduced the power consumption between 7 and 11 Watts. Similarly, the carbon footprint is reduced because the calculation uses the same power consumption data. Still, a consideration is required when configuring hyper-parameters because it can negatively affect hardware performance. However, this research required inferential statistics, specifically ANOVA and T-test, to compare the relationship between the means. Furthermore, tests indicated no statistical significance of the relationship between the benchmarking and experiments. However, a more extensive implementation with a cluster of GPUs can increase the sample size significantly, as it is an essential factor and can change the outcome of the statistical analysis.

WILT: A Multi-Turn, Memorization-Robust Inductive Logic Benchmark for LLMs

While large language models have shown impressive capabilities across a wide range of domains, they still encounter significant challenges in reasoning tasks that require gathering evidence over multiple turns and drawing logical conclusions. These challenges present significant obstacles for LLM chat user interfaces, which rely on multi-turn interactions to facilitate effective collaboration. This limitation leads to real-world issues; for example, service chatbots must gather necessary information from customers over multiple turns to diagnose and resolve problems effectively. Despite the multi-turn nature of many real-world LLM use cases, most existing benchmarks rely on carefully curated single-turn tests, which often blur the line between memorization and genuine reasoning. To address this, we introduce the Wason Inductive Logic Test (WILT), a simple yet challenging multi-turn reasoning benchmark designed to resist memorization. WILT is inspired by the Wason 2-4-6 task, where participants must infer a boolean function involving three variables (e.g., x < y < z) by proposing test cases (such as (2, 4, 6)). In WILT, each test starts from a clean slate, with only the initial instructions provided, preventing models from relying on pre-learned responses. Over several turns, models must interact with the environment by suggesting test cases to narrow the possible hypotheses and ultimately infer the hidden function based on the outcomes. Our findings reveal that LLMs struggle with this task, exhibiting distinct strengths and weaknesses: some are better at narrowing down the hypothesis space by proposing valuable test cases, while others are more adept at deducing the hidden function from observed cases. Despite these variations, the best-performing model achieves only 28% accuracy, highlighting a significant gap in LLM performance on complex multi-turn reasoning tasks.

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.

Detecting Fallacies in Climate Misinformation: A Technocognitive Approach to Identifying Misleading Argumentation

Misinformation about climate change is a complex societal issue requiring holistic, interdisciplinary solutions at the intersection between technology and psychology. One proposed solution is a "technocognitive" approach, involving the synthesis of psychological and computer science research. Psychological research has identified that interventions in response to misinformation require both fact-based (e.g., factual explanations) and technique-based (e.g., explanations of misleading techniques) content. However, little progress has been made on documenting and detecting fallacies in climate misinformation. In this study, we apply a previously developed critical thinking methodology for deconstructing climate misinformation, in order to develop a dataset mapping different types of climate misinformation to reasoning fallacies. This dataset is used to train a model to detect fallacies in climate misinformation. Our study shows F1 scores that are 2.5 to 3.5 better than previous works. The fallacies that are easiest to detect include fake experts and anecdotal arguments, while fallacies that require background knowledge, such as oversimplification, misrepresentation, and slothful induction, are relatively more difficult to detect. This research lays the groundwork for development of solutions where automatically detected climate misinformation can be countered with generative technique-based corrections.

Language Models (Mostly) Know What They Know

We study whether language models can evaluate the validity of their own claims and predict which questions they will be able to answer correctly. We first show that larger models are well-calibrated on diverse multiple choice and true/false questions when they are provided in the right format. Thus we can approach self-evaluation on open-ended sampling tasks by asking models to first propose answers, and then to evaluate the probability "P(True)" that their answers are correct. We find encouraging performance, calibration, and scaling for P(True) on a diverse array of tasks. Performance at self-evaluation further improves when we allow models to consider many of their own samples before predicting the validity of one specific possibility. Next, we investigate whether models can be trained to predict "P(IK)", the probability that "I know" the answer to a question, without reference to any particular proposed answer. Models perform well at predicting P(IK) and partially generalize across tasks, though they struggle with calibration of P(IK) on new tasks. The predicted P(IK) probabilities also increase appropriately in the presence of relevant source materials in the context, and in the presence of hints towards the solution of mathematical word problems. We hope these observations lay the groundwork for training more honest models, and for investigating how honesty generalizes to cases where models are trained on objectives other than the imitation of human writing.

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.

Specializing Smaller Language Models towards Multi-Step Reasoning

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

A & B == B & A: Triggering Logical Reasoning Failures in Large Language Models

Recent advancements in large language models (LLMs) have propelled Artificial Intelligence (AI) to new heights, enabling breakthroughs in various tasks such as writing assistance, code generation, and machine translation. A significant distinction of advanced LLMs, such as ChatGPT, is their demonstrated ability to "reason." However, evaluating the reasoning ability of LLMs remains a challenge as most existing evaluations focus on their accuracy on the downstream tasks rather than directly assessing their reasoning processes. Efforts have been made to develop benchmarks and metrics to assess reasoning in LLMs, but they suffer from data leakage or limited scope. In this paper, we introduce LogicAsker, an automatic approach that comprehensively evaluates and improves the logical reasoning abilities of LLMs under a set of atomic reasoning skills based on propositional and predicate logic. The results provide insights into LLMs' reasoning abilities and reveal the logical rules the LLMs did not learn well. We evaluate LogicAsker on six widely deployed LLMs, including GPT-3, ChatGPT, GPT-4, Bard, Vicuna, and Guanaco. The results show that test cases from LogicAsker can find logical reasoning failures in different LLMs with a rate of 25\% - 94\%. In addition, the test cases of LogicAsker can be further used to design demonstration examples for in-context learning, which effectively improves the logical reasoning ability of LLMs, e.g., 10\% for GPT-4. As far as we know, our work is the first to create prompts based on testing results to improve LLMs' formal reasoning ability effectively. All the code, data, and results will be released for reproduction and future research.

Midgar: Detection of people through computer vision in the Internet of Things scenarios to improve the security in Smart Cities, Smart Towns, and Smart Homes

Could we use Computer Vision in the Internet of Things for using pictures as sensors? This is the principal hypothesis that we want to resolve. Currently, in order to create safety areas, cities, or homes, people use IP cameras. Nevertheless, this system needs people who watch the camera images, watch the recording after something occurred, or watch when the camera notifies them of any movement. These are the disadvantages. Furthermore, there are many Smart Cities and Smart Homes around the world. This is why we thought of using the idea of the Internet of Things to add a way of automating the use of IP cameras. In our case, we propose the analysis of pictures through Computer Vision to detect people in the analysed pictures. With this analysis, we are able to obtain if these pictures contain people and handle the pictures as if they were sensors with two possible states. Notwithstanding, Computer Vision is a very complicated field. This is why we needed a second hypothesis: Could we work with Computer Vision in the Internet of Things with a good accuracy to automate or semi-automate this kind of events? The demonstration of these hypotheses required a testing over our Computer Vision module to check the possibilities that we have to use this module in a possible real environment with a good accuracy. Our proposal, as a possible solution, is the analysis of entire sequence instead of isolated pictures for using pictures as sensors in the Internet of Things.

Imitate, Explore, and Self-Improve: A Reproduction Report on Slow-thinking Reasoning Systems

Recently, slow-thinking reasoning systems, such as o1, have demonstrated remarkable capabilities in solving complex reasoning tasks. These systems typically engage in an extended thinking process before responding to a query, allowing them to generate more thorough, accurate, and well-reasoned solutions. These systems are primarily developed and maintained by industry, with their core techniques not publicly disclosed. In response, an increasing number of studies from the research community aim to explore the technical foundations underlying these powerful reasoning systems. Building on these prior efforts, this paper presents a reproduction report on implementing o1-like reasoning systems. We introduce an "imitate, explore, and self-improve" framework as our primary technical approach to train the reasoning model. In the initial phase, we use distilled long-form thought data to fine-tune the reasoning model, enabling it to invoke a slow-thinking mode. The model is then encouraged to explore challenging problems by generating multiple rollouts, which can result in increasingly more high-quality trajectories that lead to correct answers. Furthermore, the model undergoes self-improvement by iteratively refining its training dataset. To verify the effectiveness of this approach, we conduct extensive experiments on three challenging benchmarks. The experimental results demonstrate that our approach achieves competitive performance compared to industry-level reasoning systems on these benchmarks.

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

Towards Large Reasoning Models: A Survey of Reinforced Reasoning with Large Language Models

Language has long been conceived as an essential tool for human reasoning. The breakthrough of Large Language Models (LLMs) has sparked significant research interest in leveraging these models to tackle complex reasoning tasks. Researchers have moved beyond simple autoregressive token generation by introducing the concept of "thought" -- a sequence of tokens representing intermediate steps in the reasoning process. This innovative paradigm enables LLMs' to mimic complex human reasoning processes, such as tree search and reflective thinking. Recently, an emerging trend of learning to reason has applied reinforcement learning (RL) to train LLMs to master reasoning processes. This approach enables the automatic generation of high-quality reasoning trajectories through trial-and-error search algorithms, significantly expanding LLMs' reasoning capacity by providing substantially more training data. Furthermore, recent studies demonstrate that encouraging LLMs to "think" with more tokens during test-time inference can further significantly boost reasoning accuracy. Therefore, the train-time and test-time scaling combined to show a new research frontier -- a path toward Large Reasoning Model. The introduction of OpenAI's o1 series marks a significant milestone in this research direction. In this survey, we present a comprehensive review of recent progress in LLM reasoning. We begin by introducing the foundational background of LLMs and then explore the key technical components driving the development of large reasoning models, with a focus on automated data construction, learning-to-reason techniques, and test-time scaling. We also analyze popular open-source projects at building large reasoning models, and conclude with open challenges and future research directions.

Language Models as Inductive Reasoners

Inductive reasoning is a core component of human intelligence. In the past research of inductive reasoning within computer science, formal language is used as representations of knowledge (facts and rules, more specifically). However, formal language can cause systematic problems for inductive reasoning such as disability of handling raw input such as natural language, sensitiveness to mislabeled data, and incapacity to handle ambiguous input. To this end, we propose a new paradigm (task) for inductive reasoning, which is to induce natural language rules from natural language facts, and create a dataset termed DEER containing 1.2k rule-fact pairs for the task, where rules and facts are written in natural language. New automatic metrics are also proposed and analysed for the evaluation of this task. With DEER, we investigate a modern approach for inductive reasoning where we use natural language as representation for knowledge instead of formal language and use pretrained language models as ''reasoners''. Moreover, we provide the first and comprehensive analysis of how well pretrained language models can induce natural language rules from natural language facts. We also propose a new framework drawing insights from philosophy literature for this task, which we show in the experiment section that surpasses baselines in both automatic and human evaluations. We discuss about our future perspectives for inductive reasoning in Section 7. Dataset and code are available at https://github.com/ZonglinY/Inductive_Reasoning.

Software Testing with Large Language Model: Survey, Landscape, and Vision

Pre-trained large language models (LLMs) have recently emerged as a breakthrough technology in natural language processing and artificial intelligence, with the ability to handle large-scale datasets and exhibit remarkable performance across a wide range of tasks. Meanwhile, software testing is a crucial undertaking that serves as a cornerstone for ensuring the quality and reliability of software products. As the scope and complexity of software systems continue to grow, the need for more effective software testing techniques becomes increasingly urgent, and making it an area ripe for innovative approaches such as the use of LLMs. This paper provides a comprehensive review of the utilization of LLMs in software testing. It analyzes 52 relevant studies that have used LLMs for software testing, from both the software testing and LLMs perspectives. The paper presents a detailed discussion of the software testing tasks for which LLMs are commonly used, among which test case preparation and program repair are the most representative ones. It also analyzes the commonly used LLMs, the types of prompt engineering that are employed, as well as the accompanied techniques with these LLMs. It also summarizes the key challenges and potential opportunities in this direction. This work can serve as a roadmap for future research in this area, highlighting potential avenues for exploration, and identifying gaps in our current understanding of the use of LLMs in software testing.

How Discriminative Are Your Qrels? How To Study the Statistical Significance of Document Adjudication Methods

Creating test collections for offline retrieval evaluation requires human effort to judge documents' relevance. This expensive activity motivated much work in developing methods for constructing benchmarks with fewer assessment costs. In this respect, adjudication methods actively decide both which documents and the order in which experts review them, in order to better exploit the assessment budget or to lower it. Researchers evaluate the quality of those methods by measuring the correlation between the known gold ranking of systems under the full collection and the observed ranking of systems under the lower-cost one. This traditional analysis ignores whether and how the low-cost judgements impact on the statistically significant differences among systems with respect to the full collection. We fill this void by proposing a novel methodology to evaluate how the low-cost adjudication methods preserve the pairwise significant differences between systems as the full collection. In other terms, while traditional approaches look for stability in answering the question "is system A better than system B?", our proposed approach looks for stability in answering the question "is system A significantly better than system B?", which is the ultimate questions researchers need to answer to guarantee the generalisability of their results. Among other results, we found that the best methods in terms of ranking of systems correlation do not always match those preserving statistical significance.

SciClaimHunt: A Large Dataset for Evidence-based Scientific Claim Verification

Verifying scientific claims presents a significantly greater challenge than verifying political or news-related claims. Unlike the relatively broad audience for political claims, the users of scientific claim verification systems can vary widely, ranging from researchers testing specific hypotheses to everyday users seeking information on a medication. Additionally, the evidence for scientific claims is often highly complex, involving technical terminology and intricate domain-specific concepts that require specialized models for accurate verification. Despite considerable interest from the research community, there is a noticeable lack of large-scale scientific claim verification datasets to benchmark and train effective models. To bridge this gap, we introduce two large-scale datasets, SciClaimHunt and SciClaimHunt_Num, derived from scientific research papers. We propose several baseline models tailored for scientific claim verification to assess the effectiveness of these datasets. Additionally, we evaluate models trained on SciClaimHunt and SciClaimHunt_Num against existing scientific claim verification datasets to gauge their quality and reliability. Furthermore, we conduct human evaluations of the claims in proposed datasets and perform error analysis to assess the effectiveness of the proposed baseline models. Our findings indicate that SciClaimHunt and SciClaimHunt_Num serve as highly reliable resources for training models in scientific claim verification.

Towards an AI co-scientist

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is intended to help uncover new, original knowledge and to formulate demonstrably novel research hypotheses and proposals, building upon prior evidence and aligned to scientist-provided research objectives and guidance. The system's design incorporates a generate, debate, and evolve approach to hypothesis generation, inspired by the scientific method and accelerated by scaling test-time compute. Key contributions include: (1) a multi-agent architecture with an asynchronous task execution framework for flexible compute scaling; (2) a tournament evolution process for self-improving hypotheses generation. Automated evaluations show continued benefits of test-time compute, improving hypothesis quality. While general purpose, we focus development and validation in three biomedical areas: drug repurposing, novel target discovery, and explaining mechanisms of bacterial evolution and anti-microbial resistance. For drug repurposing, the system proposes candidates with promising validation findings, including candidates for acute myeloid leukemia that show tumor inhibition in vitro at clinically applicable concentrations. For novel target discovery, the AI co-scientist proposed new epigenetic targets for liver fibrosis, validated by anti-fibrotic activity and liver cell regeneration in human hepatic organoids. Finally, the AI co-scientist recapitulated unpublished experimental results via a parallel in silico discovery of a novel gene transfer mechanism in bacterial evolution. These results, detailed in separate, co-timed reports, demonstrate the potential to augment biomedical and scientific discovery and usher an era of AI empowered scientists.

Experts Don't Cheat: Learning What You Don't Know By Predicting Pairs

Identifying how much a model {p}_{theta}(Y|X) knows about the stochastic real-world process p(Y|X) it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate p(Y|X) and also estimate the remaining gaps between {p}_{theta}(Y|X) and p(Y|X): train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for p(Y|X) and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

Large Language Models are Pretty Good Zero-Shot Video Game Bug Detectors

Video game testing requires game-specific knowledge as well as common sense reasoning about the events in the game. While AI-driven agents can satisfy the first requirement, it is not yet possible to meet the second requirement automatically. Therefore, video game testing often still relies on manual testing, and human testers are required to play the game thoroughly to detect bugs. As a result, it is challenging to fully automate game testing. In this study, we explore the possibility of leveraging the zero-shot capabilities of large language models for video game bug detection. By formulating the bug detection problem as a question-answering task, we show that large language models can identify which event is buggy in a sequence of textual descriptions of events from a game. To this end, we introduce the GameBugDescriptions benchmark dataset, which consists of 167 buggy gameplay videos and a total of 334 question-answer pairs across 8 games. We extensively evaluate the performance of six models across the OPT and InstructGPT large language model families on our benchmark dataset. Our results show promising results for employing language models to detect video game bugs. With the proper prompting technique, we could achieve an accuracy of 70.66%, and on some video games, up to 78.94%. Our code, evaluation data and the benchmark can be found on https://asgaardlab.github.io/LLMxBugs

Alice in Wonderland: Simple Tasks Showing Complete Reasoning Breakdown in State-Of-the-Art Large Language Models

Large Language Models (LLMs) are often described as being instances of foundation models - that is, models that transfer strongly across various tasks and conditions in few-show or zero-shot manner, while exhibiting scaling laws that predict function improvement when increasing the pre-training scale. These claims of excelling in different functions and tasks rely on measurements taken across various sets of standardized benchmarks showing high scores for such models. We demonstrate here a dramatic breakdown of function and reasoning capabilities of state-of-the-art models trained at the largest available scales which claim strong function, using a simple, short, conventional common sense problem formulated in concise natural language, easily solvable by humans. The breakdown is dramatic, as models also express strong overconfidence in their wrong solutions, while providing often non-sensical "reasoning"-like explanations akin to confabulations to justify and backup the validity of their clearly failed responses, making them sound plausible. Various standard interventions in an attempt to get the right solution, like various type of enhanced prompting, or urging the models to reconsider the wrong solutions again by multi step re-evaluation, fail. We take these initial observations to the scientific and technological community to stimulate urgent re-assessment of the claimed capabilities of current generation of LLMs, Such re-assessment also requires common action to create standardized benchmarks that would allow proper detection of such basic reasoning deficits that obviously manage to remain undiscovered by current state-of-the-art evaluation procedures and benchmarks. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/AIW

Critical-Questions-of-Thought: Steering LLM reasoning with Argumentative Querying

Studies have underscored how, regardless of the recent breakthrough and swift advances in AI research, even state-of-the-art Large Language models (LLMs) continue to struggle when performing logical and mathematical reasoning. The results seem to suggest that LLMs still work as (highly advanced) data pattern identifiers, scoring poorly when attempting to generalise and solve reasoning problems the models have never previously seen or that are not close to samples presented in their training data. To address this compelling concern, this paper makes use of the notion of critical questions from the literature on argumentation theory, focusing in particular on Toulmin's model of argumentation. We show that employing these critical questions can improve the reasoning capabilities of LLMs. By probing the rationale behind the models' reasoning process, the LLM can assess whether some logical mistake is occurring and correct it before providing the final reply to the user prompt. The underlying idea is drawn from the gold standard of any valid argumentative procedure: the conclusion is valid if it is entailed by accepted premises. Or, to paraphrase such Aristotelian principle in a real-world approximation, characterised by incomplete information and presumptive logic, the conclusion is valid if not proved otherwise. This approach successfully steers the models' output through a reasoning pipeline, resulting in better performance against the baseline and its Chain-of-Thought (CoT) implementation. To this end, an extensive evaluation of the proposed approach on the MT-Bench Reasoning and Math tasks across a range of LLMs is provided.

SelfCheckGPT: Zero-Resource Black-Box Hallucination Detection for Generative Large Language Models

Generative Large Language Models (LLMs) such as GPT-3 are capable of generating highly fluent responses to a wide variety of user prompts. However, LLMs are known to hallucinate facts and make non-factual statements which can undermine trust in their output. Existing fact-checking approaches either require access to token-level output probability distribution (which may not be available for systems such as ChatGPT) or external databases that are interfaced via separate, often complex, modules. In this work, we propose "SelfCheckGPT", a simple sampling-based approach that can be used to fact-check black-box models in a zero-resource fashion, i.e. without an external database. SelfCheckGPT leverages the simple idea that if a LLM has knowledge of a given concept, sampled responses are likely to be similar and contain consistent facts. However, for hallucinated facts, stochastically sampled responses are likely to diverge and contradict one another. We investigate this approach by using GPT-3 to generate passages about individuals from the WikiBio dataset, and manually annotate the factuality of the generated passages. We demonstrate that SelfCheckGPT can: i) detect non-factual and factual sentences; and ii) rank passages in terms of factuality. We compare our approach to several existing baselines and show that in sentence hallucination detection, our approach has AUC-PR scores comparable to grey-box methods, while SelfCheckGPT is best at passage factuality assessment.

Impact of a Batter in ODI Cricket Implementing Regression Models from Match Commentary

Cricket, "a Gentleman's Game", is a prominent sport rising worldwide. Due to the rising competitiveness of the sport, players and team management have become more professional with their approach. Prior studies predicted individual performance or chose the best team but did not highlight the batter's potential. On the other hand, our research aims to evaluate a player's impact while considering his control in various circumstances. This paper seeks to understand the conundrum behind this impactful performance by determining how much control a player has over the circumstances and generating the "Effective Runs",a new measure we propose. We first gathered the fundamental cricket data from open-source datasets; however, variables like pitch, weather, and control were not readily available for all matches. As a result, we compiled our corpus data by analyzing the commentary of the match summaries. This gave us an insight into the particular game's weather and pitch conditions. Furthermore, ball-by-ball inspection from the commentary led us to determine the control of the shots played by the batter. We collected data for the entire One Day International career, up to February 2022, of 3 prominent cricket players: Rohit G Sharma, David A Warner, and Kane S Williamson. Lastly, to prepare the dataset, we encoded, scaled, and split the dataset to train and test Machine Learning Algorithms. We used Multiple Linear Regression (MLR), Polynomial Regression, Support Vector Regression (SVR), Decision Tree Regression, and Random Forest Regression on each player's data individually to train them and predict the Impact the player will have on the game. Multiple Linear Regression and Random Forest give the best predictions accuracy of 90.16 percent and 87.12 percent, respectively.

Calibrated Language Models Must Hallucinate

Recent language models have a mysterious tendency to generate false but plausible-sounding text. Such "hallucinations" are an obstacle to the usability of language-based AI systems and can harm people who rely upon their outputs. This work shows shows that there is an inherent statistical reason that pretrained language models hallucinate certain types of facts, having nothing to do with the transformer LM architecture or data quality. For "arbitrary" facts whose veracity cannot be determined from the training data, we show that hallucination is necessary for language models that satisfy a statistical calibration condition appropriate for generative language models. Specifically, if the maximum probability of any fact is bounded, we show that the probability of generating a hallucination is close to the fraction of facts that occur exactly once in the training data (a "Good-Turing" estimate), even assuming ideal training data without errors. One conclusion is that models pretrained to be sufficiently good predictors (i.e., calibrated) may require post-training to mitigate hallucinations on the type of arbitrary facts that tend to appear once in the training set. However, our analysis also suggests that there is no statistical reason that pretraining will lead to hallucination on facts that tend to appear more than once in the training data (like references to publications such as articles and books, whose hallucinations have been particularly notable and problematic) or on systematic facts (like arithmetic calculations). Therefore, different architectures and learning algorithms may mitigate these latter types of hallucinations.