Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide a comprehensive view of cell states under these perturbations and struggle to remove noise, hindering model generalization. We introduce the Information Alignment (InfoAlign) approach to learn molecular representations through the information bottleneck method in cells. We integrate molecules and cellular response data as nodes into a context graph, connecting them with weighted edges based on chemical, biological, and computational criteria. For each molecule in a training batch, InfoAlign optimizes the encoder's latent representation with a minimality objective to discard redundant structural information. A sufficiency objective decodes the representation to align with different feature spaces from the molecule's neighborhood in the context graph. We demonstrate that the proposed sufficiency objective for alignment is tighter than existing encoder-based contrastive methods.

Reference-based metrics such as BLEU and BERTScore are widely used to evaluate question generation (QG). In this study, on QG benchmarks such as SQuAD and HotpotQA, we find that using human-written references cannot guarantee the effectiveness of the reference-based metrics. Most QG benchmarks have only one reference; we replicated the annotation process and collect another reference. A good metric was expected to grade a human-validated question no worse than generated questions. However, the results of reference-based metrics on our newly collected reference disproved the metrics themselves. We propose a reference-free metric consisted of multi-dimensional criteria such as naturalness, answerability, and complexity, utilizing large language models. These criteria are not constrained to the syntactic or semantic of a single reference question, and the metric does not require a diverse set of references. Experiments reveal that our metric accurately distinguishes between high-quality questions and flawed ones, and achieves state-of-the-art alignment with human judgment.

Personalized large language models (LLMs) aim to tailor interactions, content, and recommendations to individual user preferences. While parameter-efficient fine-tuning (PEFT) methods excel in performance and generalization, they are costly and limit communal benefits when used individually. To this end, we introduce Personalized Pieces (Per-Pcs), a framework that allows users to safely share and assemble personalized PEFT efficiently with collaborative efforts. Per-Pcs involves selecting sharers, breaking their PEFT into pieces, and training gates for each piece. These pieces are added to a pool, from which target users can select and assemble personalized PEFT using their history data. This approach preserves privacy and enables fine-grained user modeling without excessive storage and computation demands. Experimental results show Per-Pcs outperforms non-personalized and PEFT retrieval baselines, offering performance comparable to OPPU with significantly lower resource use across six tasks. Further analysis highlights Per-Pcs's robustness concerning sharer count and selection strategy, pieces sharing ratio, and scalability in computation time and storage space. Per-Pcs's modularity promotes safe sharing, making LLM personalization more efficient, effective, and widely accessible through collaborative efforts.

The scaling laws have become the de facto guidelines for designing large language models (LLMs), but they were studied under the assumption of unlimited computing resources for both training and inference. As LLMs are increasingly used as personalized intelligent assistants, their customization (i.e., learning through fine-tuning) and deployment onto resource-constrained edge devices will become more and more prevalent. An urging but open question is how a resource-constrained computing environment would affect the design choices for a personalized LLM. We study this problem empirically in this work. In particular, we consider the tradeoffs among a number of key design factors and their intertwined impacts on learning efficiency and accuracy. The factors include the learning methods for LLM customization, the amount of personalized data used for learning customization, the types and sizes of LLMs, the compression methods of LLMs, the amount of time afforded to learn, and the difficulty levels of the target use cases. Through extensive experimentation and benchmarking, we draw a number of surprisingly insightful guidelines for deploying LLMs onto resource-constrained devices. For example, an optimal choice between parameter learning and RAG may vary depending on the difficulty of the downstream task, the longer fine-tuning time does not necessarily help the model, and a compressed LLM may be a better choice than an uncompressed LLM to learn from limited personalized data.

Open-source multimodal large language models (MLLMs) excel in various tasks involving textual and visual inputs but still struggle with complex multimodal mathematical reasoning, lagging behind proprietary models like GPT-4V(ision) and Gemini-Pro. Although fine-tuning with intermediate steps (i.e., rationales) elicits some mathematical reasoning skills, the resulting models still fall short in visual comprehension due to inadequate visual-centric supervision, which leads to inaccurate interpretation of math figures. To address this issue, we propose a two-step training pipeline VCAR, which emphasizes the Visual Comprehension training in Addition to mathematical Reasoning learning. It first improves the visual comprehension ability of MLLMs through the visual description generation task, followed by another training step on generating rationales with the assistance of descriptions. Experimental results on two popular benchmarks demonstrate that VCAR substantially outperforms baseline methods solely relying on rationale supervision, especially on problems with high visual demands.

Cognitive Behavioral Therapy (CBT) is an effective technique for addressing the irrational thoughts stemming from mental illnesses, but it necessitates precise identification of cognitive pathways to be successfully implemented in patient care. In current society, individuals frequently express negative emotions on social media on specific topics, often exhibiting cognitive distortions, including suicidal behaviors in extreme cases. Yet, there is a notable absence of methodologies for analyzing cognitive pathways that could aid psychotherapists in conducting effective interventions online. In this study, we gathered data from social media and established the task of extracting cognitive pathways, annotating the data based on a cognitive theoretical framework. We initially categorized the task of extracting cognitive pathways as a hierarchical text classification with four main categories and nineteen subcategories. Following this, we structured a text summarization task to help psychotherapists quickly grasp the essential information. Our experiments evaluate the performance of deep learning and large language models (LLMs) on these tasks. The results demonstrate that our deep learning method achieved a micro-F1 score of 62.34% in the hierarchical text classification task. Meanwhile, in the text summarization task, GPT-4 attained a Rouge-1 score of 54.92 and a Rouge-2 score of 30.86, surpassing the experimental deep learning model's performance. However, it may suffer from an issue of hallucination. We have made all models and codes publicly available to support further research in this field.

Math word problem (MWP) solving requires generating a reasoning path based on a given problem description that often contains irrelevant conditions. Existing chain-of-thought (CoT) prompting methods elicited multi-step reasoning abilities of large language models (LLMs) to solve MWPs. However, they were seriously confused by the irrelevant conditions, resulting in low accuracy. In this paper, we propose a novel approach named I$^3$C that instructs LLMs to identify and ignore irrelevant conditions. It identifies a set of irrelevant condition candidates that have a weak semantic relevance with the question. Then it prompts LLMs to verify the irrelevant conditions. Lastly it instructs the LLMs with the verification on relevant and irrelevant conditions to avoid confusion and improve reasoning paths. Moreover, we propose to select (problem, reasoning paths) pairs as demonstrations to enhance I$^3$C with few-shot reasoning. We develop I$^3$C-Select that selects the most confusing problems based on the semantic relevance measurement. We conduct extensive experiments on eight MWP datasets. I$^3$C can be combined with any CoT prompting methods to improve the performance of solving MWPs. Notably, with GPT-3.5-Turbo and I$^3$C-Select, we achieve an accuracy of 96.0 and 94.1 on GSM-IC2-1K and GSM-ICM-1K, respectively, significantly outperforming the state-of-the-art few-shot prompting method Complex-CoT by +11.7 and +11.1. Our implementation is made publicly available at https://wzy6642.github.io/I3C.github.io/.

Object navigation (ObjectNav) requires an agent to navigate through unseen environments to find queried objects. Many previous methods attempted to solve this task by relying on supervised or reinforcement learning, where they are trained on limited household datasets with close-set objects. However, two key challenges are unsolved: understanding free-form natural language instructions that demand open-set objects, and generalizing to new environments in a zero-shot manner. Aiming to solve the two challenges, in this paper, we propose OpenFMNav, an Open-set Foundation Model based framework for zero-shot object Navigation. We first unleash the reasoning abilities of large language models (LLMs) to extract proposed objects from natural language instructions that meet the user's demand. We then leverage the generalizability of large vision language models (VLMs) to actively discover and detect candidate objects from the scene, building a Versatile Semantic Score Map (VSSM). Then, by conducting common sense reasoning on VSSM, our method can perform effective language-guided exploration and exploitation of the scene and finally reach the goal. By leveraging the reasoning and generalizing abilities of foundation models, our method can understand free-form human instructions and perform effective open-set zero-shot navigation in diverse environments. Extensive experiments on the HM3D ObjectNav benchmark show that our method surpasses all the strong baselines on all metrics, proving our method's effectiveness. Furthermore, we perform real robot demonstrations to validate our method's open-set-ness and generalizability to real-world environments.

The rapid advancement of Large Language Models (LLMs) has demonstrated their vast potential across various domains, attributed to their extensive pretraining knowledge and exceptional generalizability. However, LLMs often encounter challenges in generating harmful content when faced with problematic prompts. To address this problem, existing work attempted to implement a gradient ascent based approach to prevent LLMs from producing harmful output. While these methods can be effective, they frequently impact the model utility in responding to normal prompts. To address this gap, we introduce Selective Knowledge negation Unlearning (SKU), a novel unlearning framework for LLMs, designed to eliminate harmful knowledge while preserving utility on normal prompts. Specifically, SKU is consisted of two stages: harmful knowledge acquisition stage and knowledge negation stage. The first stage aims to identify and acquire harmful knowledge within the model, whereas the second is dedicated to remove this knowledge. SKU selectively isolates and removes harmful knowledge in model parameters, ensuring the model's performance remains robust on normal prompts. Our experiments conducted across various LLM architectures demonstrate that SKU identifies a good balance point between removing harmful information and preserving utility.

Automatic taxonomy induction is crucial for web search, recommendation systems, and question answering. Manual curation of taxonomies is expensive in terms of human effort, making automatic taxonomy construction highly desirable. In this work, we introduce Chain-of-Layer which is an in-context learning framework designed to induct taxonomies from a given set of entities. Chain-of-Layer breaks down the task into selecting relevant candidate entities in each layer and gradually building the taxonomy from top to bottom. To minimize errors, we introduce the Ensemble-based Ranking Filter to reduce the hallucinated content generated at each iteration. Through extensive experiments, we demonstrate that Chain-of-Layer achieves state-of-the-art performance on four real-world benchmarks.