Tree-of-Table: Unleashing the Power of LLMs for Enhanced Large-Scale Table Understanding

The ubiquity and value of tables as semi-structured data across various domains necessitate advanced methods for understanding their complexity and vast amounts of information. Despite the impressive capabilities of large language models (LLMs) in advancing the natural language understanding frontier, their application to large-scale tabular data presents significant challenges, specifically regarding table size and complex intricate relationships. Existing works have shown promise with small-scale tables but often flounder when tasked with the complex reasoning required by larger, interconnected tables found in real-world scenarios. To address this gap, we introduce "Tree-of-Table", a novel approach designed to enhance LLMs' reasoning capabilities over large and complex tables. Our method employs Table Condensation and Decomposition to distill and reorganize relevant data into a manageable format, followed by the construction of a hierarchical Table-Tree that facilitates tree-structured reasoning. Through a meticulous Table-Tree Execution process, we systematically unravel the tree-structured reasoning chain to derive the solutions. Experiments across diverse datasets, including WikiTQ, TableFact, FeTaQA, and BIRD, demonstrate that Tree-of-Table sets a new benchmark with superior performance, showcasing remarkable efficiency and generalization capabilities in large-scale table reasoning.

Bridge-IF: Learning Inverse Protein Folding with Markov Bridges

Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the development of machine learning algorithms for this task has seen significant success, the prevailing approaches, which predominantly employ a discriminative formulation, frequently encounter the error accumulation issue and often fail to capture the extensive variety of plausible sequences. To fill these gaps, we propose Bridge-IF, a generative diffusion bridge model for inverse folding, which is designed to learn the probabilistic dependency between the distributions of backbone structures and protein sequences. Specifically, we harness an expressive structure encoder to propose a discrete, informative prior derived from structures, and establish a Markov bridge to connect this prior with native sequences. During the inference stage, Bridge-IF progressively refines the prior sequence, culminating in a more plausible design. Moreover, we introduce a reparameterization perspective on Markov bridge models, from which we derive a simplified loss function that facilitates more effective training. We also modulate protein language models (PLMs) with structural conditions to precisely approximate the Markov bridge process, thereby significantly enhancing generation performance while maintaining parameter-efficient training. Extensive experiments on well-established benchmarks demonstrate that Bridge-IF predominantly surpasses existing baselines in sequence recovery and excels in the design of plausible proteins with high foldability. The code is available at https://github.com/violet-sto/Bridge-IF.

Enhancing Multiple Dimensions of Trustworthiness in LLMs via Sparse Activation Control

As the development and application of Large Language Models (LLMs) continue to advance rapidly, enhancing their trustworthiness and aligning them with human preferences has become a critical area of research. Traditional methods rely heavily on extensive data for Reinforcement Learning from Human Feedback (RLHF), but representation engineering offers a new, training-free approach. This technique leverages semantic features to control the representation of LLM's intermediate hidden states, enabling the model to meet specific requirements such as increased honesty or heightened safety awareness. However, a significant challenge arises when attempting to fulfill multiple requirements simultaneously. It proves difficult to encode various semantic contents, like honesty and safety, into a singular semantic feature, restricting its practicality. In this work, we address this issue through ``Sparse Activation Control''. By delving into the intrinsic mechanisms of LLMs, we manage to identify and pinpoint components that are closely related to specific tasks within the model, i.e., attention heads. These heads display sparse characteristics that allow for near-independent control over different tasks. Our experiments, conducted on the open-source Llama series models, have yielded encouraging results. The models were able to align with human preferences on issues of safety, factuality, and bias concurrently.

Plan-on-Graph: Self-Correcting Adaptive Planning of Large Language Model on Knowledge Graphs

Large Language Models (LLMs) have shown remarkable reasoning capabilities on complex tasks, but they still suffer from out-of-date knowledge, hallucinations, and opaque decision-making. In contrast, Knowledge Graphs (KGs) can provide explicit and editable knowledge for LLMs to alleviate these issues. Existing paradigm of KG-augmented LLM manually predefines the breadth of exploration space and requires flawless navigation in KGs. However, this paradigm cannot adaptively explore reasoning paths in KGs based on the question semantics and self-correct erroneous reasoning paths, resulting in a bottleneck in efficiency and effect. To address these limitations, we propose a novel self-correcting adaptive planning paradigm for KG-augmented LLM named Plan-on-Graph (PoG), which first decomposes the question into several sub-objectives and then repeats the process of adaptively exploring reasoning paths, updating memory, and reflecting on the need to self-correct erroneous reasoning paths until arriving at the answer. Specifically, three important mechanisms of Guidance, Memory, and Reflection are designed to work together, to guarantee the adaptive breadth of self-correcting planning for graph reasoning. Finally, extensive experiments on three real-world datasets demonstrate the effectiveness and efficiency of PoG.

SciPIP: An LLM-based Scientific Paper Idea Proposer

The exponential growth of knowledge and the increasing complexity of interdisciplinary research pose significant challenges for researchers, including information overload and difficulties in exploring novel ideas. The advancements in large language models (LLMs), such as GPT-4, have shown great potential in enhancing idea proposals, but how to effectively utilize large models for reasonable idea proposal has not been thoroughly explored. This paper proposes a scientific paper idea proposer (SciPIP). Based on a user-provided research background, SciPIP retrieves helpful papers from a literature database while leveraging the capabilities of LLMs to generate more novel and feasible ideas. To this end, 1) we construct a literature retrieval database, extracting lots of papers' multi-dimension information for fast access. Then, a literature retrieval method based on semantics, entity, and citation co-occurrences is proposed to search relevant literature from multiple aspects based on the user-provided background. 2) After literature retrieval, we introduce dual-path idea proposal strategies, where one path infers solutions from the retrieved literature and the other path generates original ideas through model brainstorming. We then combine the two to achieve a good balance between feasibility and originality. Through extensive experiments on the natural language processing (NLP) field, we demonstrate that SciPIP can retrieve citations similar to those of existing top conference papers and generate many ideas consistent with them. Additionally, we evaluate the originality of other ideas generated by SciPIP using large language models, further validating the effectiveness of our proposed method. The code and the database are released at https://github.com/cheerss/SciPIP.

Delving into the Reversal Curse: How Far Can Large Language Models Generalize?

While large language models (LLMs) showcase unprecedented capabilities, they also exhibit certain inherent limitations when facing seemingly trivial tasks. A prime example is the recently debated "reversal curse", which surfaces when models, having been trained on the fact "A is B", struggle to generalize this knowledge to infer that "B is A". In this paper, we examine the manifestation of the reversal curse across various tasks and delve into both the generalization abilities and the problem-solving mechanisms of LLMs. This investigation leads to a series of significant insights: (1) LLMs are able to generalize to "B is A" when both A and B are presented in the context as in the case of a multiple-choice question. (2) This generalization ability is highly correlated to the structure of the fact "A is B" in the training documents. For example, this generalization only applies to biographies structured in "[Name] is [Description]" but not to "[Description] is [Name]". (3) We propose and verify the hypothesis that LLMs possess an inherent bias in fact recalling during knowledge application, which explains and underscores the importance of the document structure to successful learning. (4) The negative impact of this bias on the downstream performance of LLMs can hardly be mitigated through training alone. Based on these intriguing findings, our work not only presents a novel perspective for interpreting LLMs' generalization abilities from their intrinsic working mechanism but also provides new insights for the development of more effective learning methods for LLMs.

Structure-Enhanced Protein Instruction Tuning: Towards General-Purpose Protein Understanding

Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and functions is crucial in biological applications. Recent development of protein language models (pLMs) with supervised fine tuning provides a promising solution to this problem. However, the fine-tuned model is tailored for particular downstream prediction task, and achieving general-purpose protein understanding remains a challenge. In this paper, we introduce Structure-Enhanced Protein Instruction Tuning (SEPIT) framework to bridge this gap. Our approach integrates a noval structure-aware module into pLMs to inform them with structural knowledge, and then connects these enhanced pLMs to large language models (LLMs) to generate understanding of proteins. In this framework, we propose a novel two-stage instruction tuning pipeline that first establishes a basic understanding of proteins through caption-based instructions and then refines this understanding using a mixture of experts (MoEs) to learn more complex properties and functional information with the same amount of activated parameters. Moreover, we construct the largest and most comprehensive protein instruction dataset to date, which allows us to train and evaluate the general-purpose protein understanding model. Extensive experimental results on open-ended generation and closed-set answer tasks demonstrate the superior performance of SEPIT over both closed-source general LLMs and open-source LLMs trained with protein knowledge.

Llama SLayer 8B: Shallow Layers Hold the Key to Knowledge Injection

As a manner to augment pre-trained large language models (LLM), knowledge injection is critical to develop vertical domain large models and has been widely studied. Although most current approaches, including parameter-efficient fine-tuning (PEFT) and block expansion methods, uniformly apply knowledge across all LLM layers, it raises the question: are all layers equally crucial for knowledge injection? We begin by evaluating the importance of each layer in finding the optimal layer range for knowledge injection. Intuitively, the more important layers should play a more critical role in knowledge injection and deserve a denser injection. We observe performance dips in question-answering benchmarks after the removal or expansion of the shallow layers, and the degradation shrinks as the layer gets deeper, indicating that the shallow layers hold the key to knowledge injection. This insight leads us to propose the S strategy, a post-pretraining strategy of selectively enhancing shallow layers while pruning the less effective deep ones. Based on this strategy, we introduce Llama Slayer-8B and Llama Slayer-8B-Instruct. We experimented on the corpus of code $\&$ math and demonstrated the effectiveness of our strategy. Further experiments across different LLM, Mistral-7B, and a legal corpus confirmed the general applicability of the approach, underscoring its wide-ranging efficacy. Our code is available at: \https://github.com/txchen-USTC/Llama-Slayer

Instance-adaptive Zero-shot Chain-of-Thought Prompting

Zero-shot Chain-of-Thought (CoT) prompting emerges as a simple and effective strategy for enhancing the performance of large language models (LLMs) in real-world reasoning tasks. Nonetheless, the efficacy of a singular, task-level prompt uniformly applied across the whole of instances is inherently limited since one prompt cannot be a good partner for all, a more appropriate approach should consider the interaction between the prompt and each instance meticulously. This work introduces an instance-adaptive prompting algorithm as an alternative zero-shot CoT reasoning scheme by adaptively differentiating good and bad prompts. Concretely, we first employ analysis on LLMs through the lens of information flow to detect the mechanism under zero-shot CoT reasoning, in which we discover that information flows from question to prompt and question to rationale jointly influence the reasoning results most. We notice that a better zero-shot CoT reasoning needs the prompt to obtain semantic information from the question then the rationale aggregates sufficient information from the question directly and via the prompt indirectly. On the contrary, lacking any of those would probably lead to a bad one. Stem from that, we further propose an instance-adaptive prompting strategy (IAP) for zero-shot CoT reasoning. Experiments conducted with LLaMA-2, LLaMA-3, and Qwen on math, logic, and commonsense reasoning tasks (e.g., GSM8K, MMLU, Causal Judgement) obtain consistent improvement, demonstrating that the instance-adaptive zero-shot CoT prompting performs better than other task-level methods with some curated prompts or sophisticated procedures, showing the significance of our findings in the zero-shot CoT reasoning mechanism.

Interpreting and Improving Large Language Models in Arithmetic Calculation

Large language models (LLMs) have demonstrated remarkable potential across numerous applications and have shown an emergent ability to tackle complex reasoning tasks, such as mathematical computations. However, even for the simplest arithmetic calculations, the intrinsic mechanisms behind LLMs remain mysterious, making it challenging to ensure reliability. In this work, we delve into uncovering a specific mechanism by which LLMs execute calculations. Through comprehensive experiments, we find that LLMs frequently involve a small fraction (< 5%) of attention heads, which play a pivotal role in focusing on operands and operators during calculation processes. Subsequently, the information from these operands is processed through multi-layer perceptrons (MLPs), progressively leading to the final solution. These pivotal heads/MLPs, though identified on a specific dataset, exhibit transferability across different datasets and even distinct tasks. This insight prompted us to investigate the potential benefits of selectively fine-tuning these essential heads/MLPs to boost the LLMs' computational performance. We empirically find that such precise tuning can yield notable enhancements on mathematical prowess, without compromising the performance on non-mathematical tasks. Our work serves as a preliminary exploration into the arithmetic calculation abilities inherent in LLMs, laying a solid foundation to reveal more intricate mathematical tasks.