Augmenting large language models (LLMs) with external tools is known as a promising approach to enhancing their capabilities, especially for complex tasks. Synthesizing tool-use data through real-world simulations is an effective way to achieve it. Nevertheless, our investigation reveals that (1) training gains significantly decay as synthetic data increases. The model struggles to benefit from more synthetic data due to potential data diversity issues, resulting in poor performance in complex scenarios. Moreover, we find that (2) this challenge primarily manifests as minor discrepancies between the model's output and the ground truth response (termed as deficiency), such as errors in parameter values that require complex reasoning from the context to resolve. To this end, we propose an iterative reinforced fine-tuning strategy designed to alleviate these challenges. This strategy involves: (1) enhancing the diversity of synthetic data through path exploration of Monte Carlo Tree Search. (2) iteratively identifying deficiency-related data, constructing fine-grained preference pairs to pinpoint deficiencies, and then applying preference optimization to optimize these deficiencies. Our experiments show that models trained using our method achieve about 3\% better performance than same-size models, outperforming larger open-source and closed-source models.

Large language models (LLMs) have shown great potential across various industries due to their remarkable ability to generalize through instruction tuning. However, the limited availability of domain-specific data significantly hampers their performance on specialized tasks. While existing methods primarily focus on selecting training data from general datasets that are similar to the target domain, they often fail to consider the joint distribution of instructions, resulting in inefficient learning and suboptimal knowledge transfer. To address these challenges, we introduce G2IS (Gradient-based Graph Instruction Selection), a novel method that constructs a mixed gradient-based instruction graph to capture the joint distribution and interdependencies between instructions. By accounting for the relationships between instructions, G2IS improves domain adaptation efficiency. Additionally, we propose a gradient walk algorithm to refine the data selection process, enhancing both training effectiveness and efficiency. Our experiments demonstrate that G2IS outperforms traditional methods across various domain adaptation tasks, yielding significant performance gains, particularly in complex, data-scarce scenarios. These results underscore the potential of G2IS in advancing the development of large, domain-specific models.

LLMs' performance on complex tasks is still unsatisfactory. A key issue is that presently LLMs learn in a data-driven schema, while the instructions about these complex tasks are both scarce and hard to collect or construct. On the contrary, a prominent phenomenon is that LLMs can learn rather fast on simpler tasks with adequate prior knowledge captured during pretraining stage. Thus, if the prerequisite and mechanism of such rapid generalization could be elucidated, it could enhance the efficiency and effectiveness of the LLM's ability to learn complex tasks. Thus, in this paper, we employ a gradient-based method, to dissect the process that the SFT process adapts LLMs to downstream tasks via the perspective of attention patterns. We find that: (1) LLMs selectively activate task-specific attention heads during SFT; (2) activation patterns for complex tasks are combinations of basic task patterns; and (3) changes in a few parameters can significantly impact activation patterns after SFT on a small number of samples.Based on these insights, experiments are conducted to actually enhance the efficiency and effectiveness of SFT.

Within the evolving landscape of deep learning, the dilemma of data quantity and quality has been a long-standing problem. The recent advent of Large Language Models (LLMs) offers a data-centric solution to alleviate the limitations of real-world data with synthetic data generation. However, current investigations into this field lack a unified framework and mostly stay on the surface. Therefore, this paper provides an organization of relevant studies based on a generic workflow of synthetic data generation. By doing so, we highlight the gaps within existing research and outline prospective avenues for future study. This work aims to shepherd the academic and industrial communities towards deeper, more methodical inquiries into the capabilities and applications of LLMs-driven synthetic data generation.

Large language models (LLMs) have achieved significant performance in various natural language reasoning tasks. However, they still struggle with performing first-order logic reasoning over formal logical theories expressed in natural language. This is because the previous LLMs-based reasoning systems have the theoretical incompleteness issue. As a result, it can only address a limited set of simple reasoning problems, which significantly decreases their generalization ability. To address this issue, we propose a novel framework, named Generalizable and Faithful Reasoner (GFaiR), which introduces the paradigm of resolution refutation. Resolution refutation has the capability to solve all first-order logic reasoning problems by extending reasoning rules and employing the principle of proof by contradiction, so our system's completeness can be improved by introducing resolution refutation. Experimental results demonstrate that our system outperforms previous works by achieving state-of-the-art performances in complex scenarios while maintaining performances in simple scenarios. Besides, we observe that GFaiR is faithful to its reasoning process.

Fact-checking is the task of verifying the factuality of a given claim by examining the available evidence. High-quality evidence plays a vital role in enhancing fact-checking systems and facilitating the generation of explanations that are understandable to humans. However, the provision of both sufficient and relevant evidence for explainable fact-checking systems poses a challenge. To tackle this challenge, we propose a method based on a Large Language Model to automatically retrieve and summarize evidence from the Web. Furthermore, we construct RU22Fact, a novel multilingual explainable fact-checking dataset on the Russia-Ukraine conflict in 2022 of 16K samples, each containing real-world claims, optimized evidence, and referenced explanation. To establish a baseline for our dataset, we also develop an end-to-end explainable fact-checking system to verify claims and generate explanations. Experimental results demonstrate the prospect of optimized evidence in increasing fact-checking performance and also indicate the possibility of further progress in the end-to-end claim verification and explanation generation tasks.

Through pretraining on a corpus with various sources, Large Language Models (LLMs) have gained impressive performance. However, the impact of each component of the pretraining corpus remains opaque. As a result, the organization of the pretraining corpus is still empirical and may deviate from the optimal. To address this issue, we systematically analyze the impact of 48 datasets from 5 major categories of pretraining data of LLMs and measure their impacts on LLMs using benchmarks about nine major categories of model capabilities. Our analyses provide empirical results about the contribution of multiple corpora on the performances of LLMs, along with their joint impact patterns, including complementary, orthogonal, and correlational relationships. We also identify a set of ``high-impact data'' such as Books that is significantly related to a set of model capabilities. These findings provide insights into the organization of data to support more efficient pretraining of LLMs.

Large language models (LLMs) have developed impressive performance and strong explainability across various reasoning scenarios, marking a significant stride towards mimicking human-like intelligence. Despite this, when tasked with simple questions supported by a generic fact, LLMs often fail to provide consistent and precise answers, indicating a deficiency in abstract reasoning abilities. This has sparked a vigorous debate about whether LLMs are genuinely reasoning or merely memorizing. In light of this, we design a preliminary study to quantify and delve into the abstract reasoning abilities of existing LLMs. Our findings reveal a substantial discrepancy between their general reasoning and abstract reasoning performances. To relieve this problem, we tailor an abstract reasoning dataset (AbsR) together with a meaningful learning paradigm to teach LLMs how to leverage generic facts for reasoning purposes. The results show that our approach not only boosts the general reasoning performance of LLMs but also makes considerable strides towards their capacity for abstract reasoning, moving beyond simple memorization or imitation to a more nuanced understanding and application of generic facts.

The discovery of small molecules with therapeutic potential is a long-standing challenge in chemistry and biology. Researchers have increasingly leveraged novel computational techniques to streamline the drug development process to increase hit rates and reduce the costs associated with bringing a drug to market. To this end, we introduce a quantum-classical generative model that seamlessly integrates the computational power of quantum algorithms trained on a 16-qubit IBM quantum computer with the established reliability of classical methods for designing small molecules. Our hybrid generative model was applied to designing new KRAS inhibitors, a crucial target in cancer therapy. We synthesized 15 promising molecules during our investigation and subjected them to experimental testing to assess their ability to engage with the target. Notably, among these candidates, two molecules, ISM061-018-2 and ISM061-22, each featuring unique scaffolds, stood out by demonstrating effective engagement with KRAS. ISM061-018-2 was identified as a broad-spectrum KRAS inhibitor, exhibiting a binding affinity to KRAS-G12D at $1.4 \mu M$. Concurrently, ISM061-22 exhibited specific mutant selectivity, displaying heightened activity against KRAS G12R and Q61H mutants. To our knowledge, this work shows for the first time the use of a quantum-generative model to yield experimentally confirmed biological hits, showcasing the practical potential of quantum-assisted drug discovery to produce viable therapeutics. Moreover, our findings reveal that the efficacy of distribution learning correlates with the number of qubits utilized, underlining the scalability potential of quantum computing resources. Overall, we anticipate our results to be a stepping stone towards developing more advanced quantum generative models in drug discovery.

Large Language Models (LLMs) have shown impressive capabilities in various applications, but they still face various inconsistency issues. Existing works primarily focus on the inconsistency issues within a single LLM, while we complementarily explore the inter-consistency among multiple LLMs for collaboration. To examine whether LLMs can collaborate effectively to achieve a consensus for a shared goal, we focus on commonsense reasoning, and introduce a formal debate framework (FORD) to conduct a three-stage debate among LLMs with real-world scenarios alignment: fair debate, mismatched debate, and roundtable debate. Through extensive experiments on various datasets, LLMs can effectively collaborate to reach a consensus despite noticeable inter-inconsistencies, but imbalances in their abilities can lead to domination by superior LLMs. Leveraging a more advanced LLM like GPT-4 as an authoritative judge can boost collaboration performance. Our work contributes to understanding the inter-consistency among LLMs and lays the foundation for developing future collaboration methods. Codes and data are available at https://github.com/Waste-Wood/FORD