Drug discovery is a critical task in biomedical natural language processing (NLP), yet explainable drug discovery remains underexplored. Meanwhile, large language models (LLMs) have shown remarkable abilities in natural language understanding and generation. Leveraging LLMs for explainable drug discovery has the potential to improve downstream tasks and real-world applications. In this study, we utilize open-source drug knowledge graphs, clinical trial data, and PubMed publications to construct a comprehensive dataset for the explainable drug discovery task, named \textbf{expRxRec}. Furthermore, we introduce \textbf{KEDRec-LM}, an instruction-tuned LLM which distills knowledge from rich medical knowledge corpus for drug recommendation and rationale generation. To encourage further research in this area, we will publicly release\footnote{A copy is attached with this submission} both the dataset and KEDRec-LM.
Multiple-choice benchmarks, consisting of various prompts and choices, are among the most widely used methods to assess a language model's natural language understanding capability. Given a specific prompt, we typically compute $P(Choice|Prompt)$ to evaluate how likely a language model is to generate the correct choice compared to incorrect ones. However, we observe that performance measured using this approach reflects not only the model's comprehension of the prompt but also its inherent biases for certain choices regardless of the prompt. This issue makes it challenging to accurately measure a model's natural language understanding, as models may select the answer without fully understanding the prompt. To address this limitation, we propose a novel metric called ANPMI, which normalizes Pointwise Mutual Information (PMI) by $-\log P(Choice)$. ANPMI provides a more accurate assessment of the model's natural language understanding by ensuring that it is challenging to answer a question without properly understanding the prompt.
Pre-trained language models (PLMs) have achieved impressive results on various natural language processing tasks. However, recent research has revealed that these models often rely on superficial features and shortcuts instead of developing a genuine understanding of language, especially for natural language understanding (NLU) tasks. Consequently, the models struggle to generalize to out-of-domain data. In this work, we propose Divergence Based Regularization (DBR) to mitigate this shortcut learning behavior. Our method measures the divergence between the output distributions for original examples and examples where shortcut tokens have been masked. This process prevents the model's predictions from being overly influenced by shortcut features or biases. We evaluate our model on three NLU tasks and find that it improves out-of-domain performance with little loss of in-domain accuracy. Our results demonstrate that reducing the reliance on shortcuts and superficial features can enhance the generalization ability of large pre-trained language models.
Parameter-efficient fine-tuning (PEFT) methods, such as LoRA, are commonly used to adapt LLMs. However, the effectiveness of standard PEFT methods is limited in low-resource scenarios with only a few hundred examples. Recent advances in interpretability research have inspired the emergence of activation editing (or steering) techniques, which modify the activations of specific model components. These methods, due to their extremely small parameter counts, show promise for small datasets. However, their performance is highly dependent on identifying the correct modules to edit and often lacks stability across different datasets. In this paper, we propose Joint Localization and Activation Editing (JoLA), a method that jointly learns (1) which heads in the Transformer to edit (2) whether the intervention should be additive, multiplicative, or both and (3) the intervention parameters themselves - the vectors applied as additive offsets or multiplicative scalings to the head output. Through evaluations on three benchmarks spanning commonsense reasoning, natural language understanding, and natural language generation, we demonstrate that JoLA consistently outperforms existing methods. The code for the method is released at https://github.com/wenlai-lavine/jola.
Legal services rely heavily on text processing. While large language models (LLMs) show promise, their application in legal contexts demands higher accuracy, repeatability, and transparency. Logic programs, by encoding legal concepts as structured rules and facts, offer reliable automation, but require sophisticated text extraction. We propose a neuro-symbolic approach that integrates LLMs' natural language understanding with logic-based reasoning to address these limitations. As a legal document case study, we applied neuro-symbolic AI to coverage-related queries in insurance contracts using both closed and open-source LLMs. While LLMs have improved in legal reasoning, they still lack the accuracy and consistency required for complex contract analysis. In our analysis, we tested three methodologies to evaluate whether a specific claim is covered under a contract: a vanilla LLM, an unguided approach that leverages LLMs to encode both the contract and the claim, and a guided approach that uses a framework for the LLM to encode the contract. We demonstrated the promising capabilities of LLM + Logic in the guided approach.
While Low-Rank Adaptation (LoRA) enables parameter-efficient fine-tuning for Large Language Models (LLMs), its performance often falls short of Full Fine-Tuning (Full FT). Current methods optimize LoRA by initializing with static singular value decomposition (SVD) subsets, leading to suboptimal leveraging of pre-trained knowledge. Another path for improving LoRA is incorporating a Mixture-of-Experts (MoE) architecture. However, weight misalignment and complex gradient dynamics make it challenging to adopt SVD prior to the LoRA MoE architecture. To mitigate these issues, we propose \underline{G}reat L\underline{o}R\underline{A} Mixture-of-Exper\underline{t} (GOAT), a framework that (1) adaptively integrates relevant priors using an SVD-structured MoE, and (2) aligns optimization with full fine-tuned MoE by deriving a theoretical scaling factor. We demonstrate that proper scaling, without modifying the architecture or training algorithms, boosts LoRA MoE's efficiency and performance. Experiments across 25 datasets, including natural language understanding, commonsense reasoning, image classification, and natural language generation, demonstrate GOAT's state-of-the-art performance, closing the gap with Full FT.
Large language models (LLMs) are widely used for natural language understanding and text generation. An LLM model relies on a time-consuming step called LLM decoding to generate output tokens. Several prior works focus on improving the performance of LLM decoding using parallelism techniques, such as batching and speculative decoding. State-of-the-art LLM decoding has both compute-bound and memory-bound kernels. Some prior works statically identify and map these different kernels to a heterogeneous architecture consisting of both processing-in-memory (PIM) units and computation-centric accelerators. We observe that characteristics of LLM decoding kernels (e.g., whether or not a kernel is memory-bound) can change dynamically due to parameter changes to meet user and/or system demands, making (1) static kernel mapping to PIM units and computation-centric accelerators suboptimal, and (2) one-size-fits-all approach of designing PIM units inefficient due to a large degree of heterogeneity even in memory-bound kernels. In this paper, we aim to accelerate LLM decoding while considering the dynamically changing characteristics of the kernels involved. We propose PAPI (PArallel Decoding with PIM), a PIM-enabled heterogeneous architecture that exploits dynamic scheduling of compute-bound or memory-bound kernels to suitable hardware units. PAPI has two key mechanisms: (1) online kernel characterization to dynamically schedule kernels to the most suitable hardware units at runtime and (2) a PIM-enabled heterogeneous computing system that harmoniously orchestrates both computation-centric processing units and hybrid PIM units with different computing capabilities. Our experimental results on three broadly-used LLMs show that PAPI achieves 1.8$\times$ and 11.1$\times$ speedups over a state-of-the-art heterogeneous LLM accelerator and a state-of-the-art PIM-only LLM accelerator, respectively.
Large Language Models (LLMs) have achieved remarkable success in natural language processing, but their full fine-tuning remains resource-intensive. Parameter-Efficient Fine-Tuning (PEFT) methods, such as Low-Rank Adaptation (LoRA), have emerged as a practical solution by approximating parameter updates with low-rank matrices. However, LoRA often exhibits a "double descent" phenomenon during fine-tuning, where model performance degrades due to overfitting and limited expressiveness caused by low-rank constraints. To address this issue, we propose LoRA-GGPO (Gradient-Guided Perturbation Optimization), a novel method that leverages gradient and weight norms to generate targeted perturbations. By optimizing the sharpness of the loss landscape, LoRA-GGPO guides the model toward flatter minima, mitigating the double descent problem and improving generalization. Extensive experiments on natural language understanding (NLU) and generation (NLG) tasks demonstrate that LoRA-GGPO outperforms LoRA and its state-of-the-art variants. Furthermore, extended experiments specifically designed to analyze the double descent phenomenon confirm that LoRA-GGPO effectively alleviates this issue, producing more robust and generalizable models. Our work provides a robust and efficient solution for fine-tuning LLMs, with broad applicability in real-world scenarios. The code is available at https://github.com/llm172/LoRA-GGPO.
Parameter-efficient fine-tuning (PEFT) is essential for adapting large language models (LLMs), with low-rank adaptation (LoRA) being the most popular approach. However, LoRA suffers from slow convergence, and some recent LoRA variants, such as PiSSA, primarily rely on Singular Value Decomposition (SVD) for initialization, leading to expensive computation. To mitigate these problems, we use the Nystr\"om method, which follows a three-matrix manipulation. We first introduce StructuredLoRA (SLoRA), which investigates adding a small intermediate matrix between the low-rank matrices A and B. Secondly, we propose Nystr\"omLoRA (NLoRA), which leverages Nystr\"om-based initialization for SLoRA to improve its effectiveness and efficiency. Finally, we propose IntermediateTune (IntTune), which explores fine-tuning exclusively on the intermediate matrix of NLoRA to further boost LLM efficiency. We evaluate our methods on five natural language generation (NLG) tasks and eight natural language understanding (NLU) tasks. On GSM8K, SLoRA and NLoRA achieve accuracies of 56.48% and 57.70%, surpassing LoRA by 33.52% and 36.41%, with only 3.67 million additional trainable parameters. IntTune improves average NLG performance over LoRA by 7.45% while using only 1.25% of its parameters. These results demonstrate the efficiency and effectiveness of our approach in enhancing model performance with minimal parameter overhead.
We present a hierarchy of natural language understanding abilities and argue for the importance of moving beyond assessments of understanding at the lexical and sentence levels to the discourse level. We propose the task of anaphora accessibility as a diagnostic for assessing discourse understanding, and to this end, present an evaluation dataset inspired by theoretical research in dynamic semantics. We evaluate human and LLM performance on our dataset and find that LLMs and humans align on some tasks and diverge on others. Such divergence can be explained by LLMs' reliance on specific lexical items during language comprehension, in contrast to human sensitivity to structural abstractions.
Mobile robots necessitate advanced natural language understanding capabilities to accurately identify locations and perform tasks such as package delivery. However, traditional visual place recognition (VPR) methods rely solely on single-view visual information and cannot interpret human language descriptions. To overcome this challenge, we bridge text and vision by proposing a multiview (360{\deg} views of the surroundings) text-vision registration approach called Text4VPR for place recognition task, which is the first method that exclusively utilizes textual descriptions to match a database of images. Text4VPR employs the frozen T5 language model to extract global textual embeddings. Additionally, it utilizes the Sinkhorn algorithm with temperature coefficient to assign local tokens to their respective clusters, thereby aggregating visual descriptors from images. During the training stage, Text4VPR emphasizes the alignment between individual text-image pairs for precise textual description. In the inference stage, Text4VPR uses the Cascaded Cross-Attention Cosine Alignment (CCCA) to address the internal mismatch between text and image groups. Subsequently, Text4VPR performs precisely place match based on the descriptions of text-image groups. On Street360Loc, the first text to image VPR dataset we created, Text4VPR builds a robust baseline, achieving a leading top-1 accuracy of 57% and a leading top-10 accuracy of 92% within a 5-meter radius on the test set, which indicates that localization from textual descriptions to images is not only feasible but also holds significant potential for further advancement, as shown in Figure 1.
Large language models (LLMs) excel at a range of tasks through in-context learning (ICL), where only a few task examples guide their predictions. However, prior research highlights that LLMs often overlook input-label mapping information in ICL, relying more on their pre-trained knowledge. To address this issue, we introduce In-Context Contrastive Decoding (ICCD), a novel method that emphasizes input-label mapping by contrasting the output distributions between positive and negative in-context examples. Experiments on 7 natural language understanding (NLU) tasks show that our ICCD method brings consistent and significant improvement (up to +2.1 improvement on average) upon 6 different scales of LLMs without requiring additional training. Our approach is versatile, enhancing performance with various demonstration selection methods, demonstrating its broad applicability and effectiveness. The code and scripts will be publicly released.
In-context learning (ICL) has demonstrated significant potential in enhancing the capabilities of large language models (LLMs) during inference. It's well-established that ICL heavily relies on selecting effective demonstrations to generate outputs that better align with the expected results. As for demonstration selection, previous approaches have typically relied on intuitive metrics to evaluate the effectiveness of demonstrations, which often results in limited robustness and poor cross-model generalization capabilities. To tackle these challenges, we propose a novel method, \textbf{D}emonstration \textbf{VA}lidation (\textbf{D.Va}), which integrates a demonstration validation perspective into this field. By introducing the demonstration validation mechanism, our method effectively identifies demonstrations that are both effective and highly generalizable. \textbf{D.Va} surpasses all existing demonstration selection techniques across both natural language understanding (NLU) and natural language generation (NLG) tasks. Additionally, we demonstrate the robustness and generalizability of our approach across various language models with different retrieval models.
We present TALKPLAY, a novel multimodal music recommendation system that reformulates recommendation as a token generation problem using large language models (LLMs). By leveraging the instruction-following and natural language generation capabilities of LLMs, our system effectively recommends music from diverse user queries while generating contextually relevant responses. While pretrained LLMs are primarily designed for text modality, TALKPLAY extends their scope through two key innovations: a multimodal music tokenizer that encodes audio features, lyrics, metadata, semantic tags, and playlist co-occurrence signals; and a vocabulary expansion mechanism that enables unified processing and generation of both linguistic and music-relevant tokens. By integrating the recommendation system directly into the LLM architecture, TALKPLAY transforms conventional systems by: (1) unifying previous two-stage conversational recommendation systems (recommendation engines and dialogue managers) into a cohesive end-to-end system, (2) effectively utilizing long conversational context for recommendation while maintaining strong performance in extended multi-turn interactions, and (3) generating natural language responses for seamless user interaction. Our qualitative and quantitative evaluation demonstrates that TALKPLAY significantly outperforms unimodal approaches based solely on text or listening history in both recommendation performance and conversational naturalness.
Significant advancements have been made by Large Language Models (LLMs) in the domains of natural language understanding and automated content creation. However, they still face persistent problems, including substantial computational costs and inadequate availability of training data. The combination of Federated Learning (FL) and LLMs (federated LLMs) offers a solution by leveraging distributed data while protecting privacy, which positions it as an ideal choice for sensitive domains. However, Federated LLMs still suffer from robustness challenges, including data heterogeneity, malicious clients, and adversarial attacks, which greatly hinder their applications. We first introduce the robustness problems in federated LLMs, to address these challenges, we propose FedEAT (Federated Embedding space Adversarial Training), a novel framework that applies adversarial training in the embedding space of client LLM and employs a robust aggregation approach, specifically geometric median aggregation, to enhance the robustness of Federated LLMs. Our experiments demonstrate that FedEAT effectively improves the robustness of Federated LLMs with minimal performance loss.
Entity tracking is a fundamental challenge in natural language understanding, requiring models to maintain coherent representations of entities. Previous work has benchmarked entity tracking performance in purely text-based tasks. We introduce MET-Bench, a multimodal entity tracking benchmark designed to evaluate the ability of vision-language models to track entity states across modalities. Using two structured domains, Chess and the Shell Game, we assess how effectively current models integrate textual and image-based state updates. Our findings reveal a significant performance gap between text-based and image-based tracking and that this performance gap stems from deficits in visual reasoning rather than perception. We further show that explicit text-based reasoning strategies improve performance, yet substantial limitations remain, especially in long-horizon multimodal scenarios. Our results highlight the need for improved multimodal representations and reasoning techniques to bridge the gap between textual and visual entity tracking.
Large Language Models (LLMs) have demonstrated remarkable success in various tasks such as natural language understanding, text summarization, and machine translation. However, their general-purpose nature often limits their effectiveness in domain-specific applications that require specialized knowledge, such as healthcare, chemistry, or legal analysis. To address this, researchers have explored diverse methods to enhance LLMs by integrating domain-specific knowledge. In this survey, we provide a comprehensive overview of these methods, which we categorize into four key approaches: dynamic knowledge injection, static knowledge embedding, modular adapters, and prompt optimization. Each approach offers unique mechanisms to equip LLMs with domain expertise, balancing trade-offs between flexibility, scalability, and efficiency. We discuss how these methods enable LLMs to tackle specialized tasks, compare their advantages and disadvantages, evaluate domain-specific LLMs against general LLMs, and highlight the challenges and opportunities in this emerging field. For those interested in delving deeper into this area, we also summarize the commonly used datasets and benchmarks. To keep researchers updated on the latest studies, we maintain an open-source at: https://github.com/abilliyb/Knowledge_Injection_Survey_Papers, dedicated to documenting research in the field of specialized LLM.
Commonsense temporal reasoning at scale is a core problem for cognitive systems. The correct inference of the duration for which fluents hold is required by many tasks, including natural language understanding and planning. Many AI systems have limited deductive closure because they cannot extrapolate information correctly regarding existing fluents and events. In this study, we discuss the knowledge representation and reasoning schemes required for robust temporal projection in the Cyc Knowledge Base. We discuss how events can start and end risk periods for fluents. We then use discrete survival functions, which represent knowledge of the persistence of facts, to extrapolate a given fluent. The extrapolated intervals can be truncated by temporal constraints and other types of commonsense knowledge. Finally, we present the results of experiments to demonstrate that these methods obtain significant improvements in terms of Q/A performance.
With the increasing interest in using large language models (LLMs) for planning in natural language, understanding their behaviors becomes an important research question. This work conducts a systematic investigation of LLMs' ability to perform logical reasoning in natural language. We introduce a controlled dataset of hypothetical and disjunctive syllogisms in propositional and modal logic and use it as the testbed for understanding LLM performance. Our results lead to novel insights in predicting LLM behaviors: in addition to the probability of input (Gonen et al., 2023; McCoy et al., 2024), logical forms should be considered as important factors. In addition, we show similarities and discrepancies between the logical reasoning performances of humans and LLMs by collecting and comparing behavioral data from both.
To govern smart contracts running on Ethereum, multiple Ethereum Request for Comment (ERC) standards have been developed, each having a set of rules to guide the behaviors of smart contracts. Violating the ERC rules could cause serious security issues and financial loss, signifying the importance of verifying smart contracts follow ERCs. Today's practices of such verification are to manually audit each single contract, use expert-developed program-analysis tools, or use large language models (LLMs), all of which are far from effective in identifying ERC rule violations. This paper introduces SymGPT, a tool that combines the natural language understanding of large language models (LLMs) with the formal guarantees of symbolic execution to automatically verify smart contracts' compliance with ERC rules. To develop SymGPT, we conduct an empirical study of 132 ERC rules from three widely used ERC standards, examining their content, security implications, and natural language descriptions. Based on this study, we design SymGPT by first instructing an LLM to translate ERC rules into a defined EBNF grammar. We then synthesize constraints from the formalized rules to represent scenarios where violations may occur and use symbolic execution to detect them. Our evaluation shows that SymGPT identifies 5,783 ERC rule violations in 4,000 real-world contracts, including 1,375 violations with clear attack paths for stealing financial assets, demonstrating its effectiveness. Furthermore, SymGPT outperforms six automated techniques and a security-expert auditing service, underscoring its superiority over current smart contract analysis methods.