Establishing Knowledge Preference in Language Models

Language models are known to encode a great amount of factual knowledge through pretraining. However, such knowledge might be insufficient to cater to user requests, requiring the model to integrate external knowledge sources and adhere to user-provided specifications. When answering questions about ongoing events, the model should use recent news articles to update its response; when asked to provide recommendations, the model should prioritize user specifications over retrieved product reviews; when some facts are edited in the model, the updated facts should override all prior knowledge learned by the model even if they are conflicting. In all of the cases above, the model faces a decision between its own parametric knowledge, (retrieved) contextual knowledge, and user instruction knowledge. In this paper, we (1) unify such settings into the problem of knowledge preference and define a three-level preference hierarchy over these knowledge sources; (2) compile a collection of existing datasets IfQA, MQuAKE, and MRQA covering a combination of settings (with/without user specifications, with/without context documents) to systematically evaluate how well models obey the intended knowledge preference; and (3) propose a dataset synthesis method that composes diverse question-answer pairs with user assumptions and related context to directly fine-tune LMs for instilling the hierarchy of knowledge. We demonstrate that a 7B model, fine-tuned on only a few thousand examples automatically generated by our proposed method, effectively achieves superior performance (more than 18% improvement across all evaluation benchmarks) in adhering to the desired knowledge preference hierarchy.

F-FOMAML: GNN-Enhanced Meta-Learning for Peak Period Demand Forecasting with Proxy Data

Demand prediction is a crucial task for e-commerce and physical retail businesses, especially during high-stake sales events. However, the limited availability of historical data from these peak periods poses a significant challenge for traditional forecasting methods. In this paper, we propose a novel approach that leverages strategically chosen proxy data reflective of potential sales patterns from similar entities during non-peak periods, enriched by features learned from a graph neural networks (GNNs)-based forecasting model, to predict demand during peak events. We formulate the demand prediction as a meta-learning problem and develop the Feature-based First-Order Model-Agnostic Meta-Learning (F-FOMAML) algorithm that leverages proxy data from non-peak periods and GNN-generated relational metadata to learn feature-specific layer parameters, thereby adapting to demand forecasts for peak events. Theoretically, we show that by considering domain similarities through task-specific metadata, our model achieves improved generalization, where the excess risk decreases as the number of training tasks increases. Empirical evaluations on large-scale industrial datasets demonstrate the superiority of our approach. Compared to existing state-of-the-art models, our method demonstrates a notable improvement in demand prediction accuracy, reducing the Mean Absolute Error by 26.24% on an internal vending machine dataset and by 1.04% on the publicly accessible JD.com dataset.

Instruct, Not Assist: LLM-based Multi-Turn Planning and Hierarchical Questioning for Socratic Code Debugging

Socratic questioning is an effective teaching strategy, encouraging critical thinking and problem-solving. The conversational capabilities of large language models (LLMs) show great potential for providing scalable, real-time student guidance. However, current LLMs often give away solutions directly, making them ineffective instructors. We tackle this issue in the code debugging domain with TreeInstruct, an Instructor agent guided by a novel state space-based planning algorithm. TreeInstruct asks probing questions to help students independently identify and resolve errors. It estimates a student's conceptual and syntactical knowledge to dynamically construct a question tree based on their responses and current knowledge state, effectively addressing both independent and dependent mistakes concurrently in a multi-turn interaction setting. In addition to using an existing single-bug debugging benchmark, we construct a more challenging multi-bug dataset of 150 coding problems, incorrect solutions, and bug fixes -- all carefully constructed and annotated by experts. Extensive evaluation shows TreeInstruct's state-of-the-art performance on both datasets, proving it to be a more effective instructor than baselines. Furthermore, a real-world case study with five students of varying skill levels further demonstrates TreeInstruct's ability to guide students to debug their code efficiently with minimal turns and highly Socratic questioning.

A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery

In many scientific fields, large language models (LLMs) have revolutionized the way with which text and other modalities of data (e.g., molecules and proteins) are dealt, achieving superior performance in various applications and augmenting the scientific discovery process. Nevertheless, previous surveys on scientific LLMs often concentrate on one to two fields or a single modality. In this paper, we aim to provide a more holistic view of the research landscape by unveiling cross-field and cross-modal connections between scientific LLMs regarding their architectures and pre-training techniques. To this end, we comprehensively survey over 250 scientific LLMs, discuss their commonalities and differences, as well as summarize pre-training datasets and evaluation tasks for each field and modality. Moreover, we investigate how LLMs have been deployed to benefit scientific discovery. Resources related to this survey are available at https://github.com/yuzhimanhua/Awesome-Scientific-Language-Models.

When Can LLMs Actually Correct Their Own Mistakes? A Critical Survey of Self-Correction of LLMs

Self-correction is an approach to improving responses from large language models (LLMs) by refining the responses using LLMs during inference. Prior work has proposed various self-correction frameworks using different sources of feedback, including self-evaluation and external feedback. However, there is still no consensus on the question of when LLMs can correct their own mistakes, as recent studies also report negative results. In this work, we critically survey broad papers and discuss the conditions required for successful self-correction. We first find that prior studies often do not define their research questions in detail and involve impractical frameworks or unfair evaluations that over-evaluate self-correction. To tackle these issues, we categorize research questions in self-correction research and provide a checklist for designing appropriate experiments. Our critical survey based on the newly categorized research questions shows that (1) no prior work demonstrates successful self-correction with feedback from prompted LLMs in general tasks, (2) self-correction works well in tasks that can use reliable external feedback, and (3) large-scale fine-tuning enables self-correction.

PathReasoner: Modeling Reasoning Path with Equivalent Extension for Logical Question Answering

Logical reasoning task has attracted great interest since it was proposed. Faced with such a task, current competitive models, even large language models (e.g., ChatGPT and PaLM 2), still perform badly. Previous promising LMs struggle in logical consistency modeling and logical structure perception. To this end, we model the logical reasoning task by transforming each logical sample into reasoning paths and propose an architecture \textbf{PathReasoner}. It addresses the task from the views of both data and model. To expand the diversity of the logical samples, we propose an atom extension strategy supported by equivalent logical formulas, to form new reasoning paths. From the model perspective, we design a stack of transformer-style blocks. In particular, we propose a path-attention module to joint model in-atom and cross-atom relations with the high-order diffusion strategy. Experiments show that PathReasoner achieves competitive performances on two logical reasoning benchmarks and great generalization abilities.

KG-FIT: Knowledge Graph Fine-Tuning Upon Open-World Knowledge

Knowledge Graph Embedding (KGE) techniques are crucial in learning compact representations of entities and relations within a knowledge graph, facilitating efficient reasoning and knowledge discovery. While existing methods typically focus either on training KGE models solely based on graph structure or fine-tuning pre-trained language models with classification data in KG, KG-FIT leverages LLM-guided refinement to construct a semantically coherent hierarchical structure of entity clusters. By incorporating this hierarchical knowledge along with textual information during the fine-tuning process, KG-FIT effectively captures both global semantics from the LLM and local semantics from the KG. Extensive experiments on the benchmark datasets FB15K-237, YAGO3-10, and PrimeKG demonstrate the superiority of KG-FIT over state-of-the-art pre-trained language model-based methods, achieving improvements of 14.4%, 13.5%, and 11.9% in the Hits@10 metric for the link prediction task, respectively. Furthermore, KG-FIT yields substantial performance gains of 12.6%, 6.7%, and 17.7% compared to the structure-based base models upon which it is built. These results highlight the effectiveness of KG-FIT in incorporating open-world knowledge from LLMs to significantly enhance the expressiveness and informativeness of KG embeddings.

Automated Construction of Theme-specific Knowledge Graphs

Despite widespread applications of knowledge graphs (KGs) in various tasks such as question answering and intelligent conversational systems, existing KGs face two major challenges: information granularity and deficiency in timeliness. These hinder considerably the retrieval and analysis of in-context, fine-grained, and up-to-date knowledge from KGs, particularly in highly specialized themes (e.g., specialized scientific research) and rapidly evolving contexts (e.g., breaking news or disaster tracking). To tackle such challenges, we propose a theme-specific knowledge graph (i.e., ThemeKG), a KG constructed from a theme-specific corpus, and design an unsupervised framework for ThemeKG construction (named TKGCon). The framework takes raw theme-specific corpus and generates a high-quality KG that includes salient entities and relations under the theme. Specifically, we start with an entity ontology of the theme from Wikipedia, based on which we then generate candidate relations by Large Language Models (LLMs) to construct a relation ontology. To parse the documents from the theme corpus, we first map the extracted entity pairs to the ontology and retrieve the candidate relations. Finally, we incorporate the context and ontology to consolidate the relations for entity pairs. We observe that directly prompting GPT-4 for theme-specific KG leads to inaccurate entities (such as "two main types" as one entity in the query result) and unclear (such as "is", "has") or wrong relations (such as "have due to", "to start"). In contrast, by constructing the theme-specific KG step by step, our model outperforms GPT-4 and could consistently identify accurate entities and relations. Experimental results also show that our framework excels in evaluations compared with various KG construction baselines.

MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space

Generative models for structure-based drug design (SBDD) have shown promising results in recent years. Existing works mainly focus on how to generate molecules with higher binding affinity, ignoring the feasibility prerequisites for generated 3D poses and resulting in false positives. We conduct thorough studies on key factors of ill-conformational problems when applying autoregressive methods and diffusion to SBDD, including mode collapse and hybrid continuous-discrete space. In this paper, we introduce \ours, the first SBDD model that operates in the continuous parameter space, together with a novel noise reduced sampling strategy. Empirical results show that our model consistently achieves superior performance in binding affinity with more stable 3D structure, demonstrating our ability to accurately model interatomic interactions. To our best knowledge, MolCRAFT is the first to achieve reference-level Vina Scores (-6.59 kcal/mol), outperforming other strong baselines by a wide margin (-0.84 kcal/mol). Code is available at https://github.com/AlgoMole/MolCRAFT.

Graph Chain-of-Thought: Augmenting Large Language Models by Reasoning on Graphs

Large language models (LLMs), while exhibiting exceptional performance, suffer from hallucinations, especially on knowledge-intensive tasks. Existing works propose to augment LLMs with individual text units retrieved from external knowledge corpora to alleviate the issue. However, in many domains, texts are interconnected (e.g., academic papers in a bibliographic graph are linked by citations and co-authorships) which form a (text-attributed) graph. The knowledge in such graphs is encoded not only in single texts/nodes but also in their associated connections. To facilitate the research of augmenting LLMs with graphs, we manually construct a Graph Reasoning Benchmark dataset called GRBench, containing 1,740 questions that can be answered with the knowledge from 10 domain graphs. Then, we propose a simple and effective framework called Graph Chain-of-thought (Graph-CoT) to augment LLMs with graphs by encouraging LLMs to reason on the graph iteratively. Each Graph-CoT iteration consists of three sub-steps: LLM reasoning, LLM-graph interaction, and graph execution. We conduct systematic experiments with three LLM backbones on GRBench, where Graph-CoT outperforms the baselines consistently. The code is available at https://github.com/PeterGriffinJin/Graph-CoT.