AgentRM: Enhancing Agent Generalization with Reward Modeling

Existing LLM-based agents have achieved strong performance on held-in tasks, but their generalizability to unseen tasks remains poor. Hence, some recent work focus on fine-tuning the policy model with more diverse tasks to improve the generalizability. In this work, we find that finetuning a reward model to guide the policy model is more robust than directly finetuning the policy model. Based on this finding, we propose AgentRM, a generalizable reward model, to guide the policy model for effective test-time search. We comprehensively investigate three approaches to construct the reward model, including explicit reward modeling, implicit reward modeling and LLM-as-a-judge. We then use AgentRM to guide the answer generation with Best-of-N sampling and step-level beam search. On four types of nine agent tasks, AgentRM enhances the base policy model by $8.8$ points on average, surpassing the top general agent by $4.0$. Moreover, it demonstrates weak-to-strong generalization, yielding greater improvement of $12.6$ on LLaMA-3-70B policy model. As for the specializability, AgentRM can also boost a finetuned policy model and outperform the top specialized agent by $11.4$ on three held-in tasks. Further analysis verifies its effectiveness in test-time scaling. Codes will be released to facilitate the research in this area.

From Selection to Generation: A Survey of LLM-based Active Learning

Active Learning (AL) has been a powerful paradigm for improving model efficiency and performance by selecting the most informative data points for labeling and training. In recent active learning frameworks, Large Language Models (LLMs) have been employed not only for selection but also for generating entirely new data instances and providing more cost-effective annotations. Motivated by the increasing importance of high-quality data and efficient model training in the era of LLMs, we present a comprehensive survey on LLM-based Active Learning. We introduce an intuitive taxonomy that categorizes these techniques and discuss the transformative roles LLMs can play in the active learning loop. We further examine the impact of AL on LLM learning paradigms and its applications across various domains. Finally, we identify open challenges and propose future research directions. This survey aims to serve as an up-to-date resource for researchers and practitioners seeking to gain an intuitive understanding of LLM-based AL techniques and deploy them to new applications.

Mitigating Visual Knowledge Forgetting in MLLM Instruction-tuning via Modality-decoupled Gradient Descent

Recent MLLMs have shown emerging visual understanding and reasoning abilities after being pre-trained on large-scale multimodal datasets. Unlike pre-training, where MLLMs receive rich visual-text alignment, instruction-tuning is often text-driven with weaker visual supervision, leading to the degradation of pre-trained visual understanding and causing visual forgetting. Existing approaches, such as direct fine-tuning and continual learning methods, fail to explicitly address this issue, often compressing visual representations and prioritizing task alignment over visual retention, which further worsens visual forgetting. To overcome this limitation, we introduce a novel perspective leveraging effective rank to quantify the degradation of visual representation richness, interpreting this degradation through the information bottleneck principle as excessive compression that leads to the degradation of crucial pre-trained visual knowledge. Building on this view, we propose a modality-decoupled gradient descent (MDGD) method that regulates gradient updates to maintain the effective rank of visual representations while mitigating the over-compression effects described by the information bottleneck. By explicitly disentangling the optimization of visual understanding from task-specific alignment, MDGD preserves pre-trained visual knowledge while enabling efficient task adaptation. To enable lightweight instruction-tuning, we further develop a memory-efficient fine-tuning approach using gradient masking, which selectively updates a subset of model parameters to enable parameter-efficient fine-tuning (PEFT), reducing computational overhead while preserving rich visual representations. Extensive experiments across various downstream tasks and backbone MLLMs demonstrate that MDGD effectively mitigates visual forgetting from pre-trained tasks while enabling strong adaptation to new tasks.

GUI Agents: A Survey

Graphical User Interface (GUI) agents, powered by Large Foundation Models, have emerged as a transformative approach to automating human-computer interaction. These agents autonomously interact with digital systems or software applications via GUIs, emulating human actions such as clicking, typing, and navigating visual elements across diverse platforms. Motivated by the growing interest and fundamental importance of GUI agents, we provide a comprehensive survey that categorizes their benchmarks, evaluation metrics, architectures, and training methods. We propose a unified framework that delineates their perception, reasoning, planning, and acting capabilities. Furthermore, we identify important open challenges and discuss key future directions. Finally, this work serves as a basis for practitioners and researchers to gain an intuitive understanding of current progress, techniques, benchmarks, and critical open problems that remain to be addressed.

Personalized Multimodal Large Language Models: A Survey

Multimodal Large Language Models (MLLMs) have become increasingly important due to their state-of-the-art performance and ability to integrate multiple data modalities, such as text, images, and audio, to perform complex tasks with high accuracy. This paper presents a comprehensive survey on personalized multimodal large language models, focusing on their architecture, training methods, and applications. We propose an intuitive taxonomy for categorizing the techniques used to personalize MLLMs to individual users, and discuss the techniques accordingly. Furthermore, we discuss how such techniques can be combined or adapted when appropriate, highlighting their advantages and underlying rationale. We also provide a succinct summary of personalization tasks investigated in existing research, along with the evaluation metrics commonly used. Additionally, we summarize the datasets that are useful for benchmarking personalized MLLMs. Finally, we outline critical open challenges. This survey aims to serve as a valuable resource for researchers and practitioners seeking to understand and advance the development of personalized multimodal large language models.

OCEAN: Offline Chain-of-thought Evaluation and Alignment in Large Language Models

Offline evaluation of LLMs is crucial in understanding their capacities, though current methods remain underexplored in existing research. In this work, we focus on the offline evaluation of the chain-of-thought capabilities and show how to optimize LLMs based on the proposed evaluation method. To enable offline feedback with rich knowledge and reasoning paths, we use knowledge graphs (e.g., Wikidata5m) to provide feedback on the generated chain of thoughts. Due to the heterogeneity between LLM reasoning and KG structures, direct interaction and feedback from KGs on LLM behavior are challenging, as they require accurate entity linking and grounding of LLM-generated chains of thought in the KG. To address the above challenge, we propose an offline chain-of-thought evaluation framework, OCEAN, which models chain-of-thought reasoning in LLMs as an MDP and evaluate the policy's alignment with KG preference modeling. To overcome the reasoning heterogeneity and grounding problems, we leverage on-policy KG exploration and RL to model a KG policy that generates token-level likelihood distributions for LLM-generated chain-of-thought reasoning paths, simulating KG reasoning preference. Then we incorporate the knowledge-graph feedback on the validity and alignment of the generated reasoning paths into inverse propensity scores and propose KG-IPS estimator. Theoretically, we prove the unbiasedness of the proposed KG-IPS estimator and provide a lower bound on its variance. With the off-policy evaluated value function, we can directly enable off-policy optimization to further enhance chain-of-thought alignment. Our empirical study shows that OCEAN can be efficiently optimized for generating chain-of-thought reasoning paths with higher estimated values without affecting LLMs' general abilities in downstream tasks or their internal knowledge.

A Survey of Small Language Models

Small Language Models (SLMs) have become increasingly important due to their efficiency and performance to perform various language tasks with minimal computational resources, making them ideal for various settings including on-device, mobile, edge devices, among many others. In this article, we present a comprehensive survey on SLMs, focusing on their architectures, training techniques, and model compression techniques. We propose a novel taxonomy for categorizing the methods used to optimize SLMs, including model compression, pruning, and quantization techniques. We summarize the benchmark datasets that are useful for benchmarking SLMs along with the evaluation metrics commonly used. Additionally, we highlight key open challenges that remain to be addressed. Our survey aims to serve as a valuable resource for researchers and practitioners interested in developing and deploying small yet efficient language models.

Knowledge-Aware Query Expansion with Large Language Models for Textual and Relational Retrieval

Large language models (LLMs) have been used to generate query expansions augmenting original queries for improving information search. Recent studies also explore providing LLMs with initial retrieval results to generate query expansions more grounded to document corpus. However, these methods mostly focus on enhancing textual similarities between search queries and target documents, overlooking document relations. For queries like "Find me a highly rated camera for wildlife photography compatible with my Nikon F-Mount lenses", existing methods may generate expansions that are semantically similar but structurally unrelated to user intents. To handle such semi-structured queries with both textual and relational requirements, in this paper we propose a knowledge-aware query expansion framework, augmenting LLMs with structured document relations from knowledge graph (KG). To further address the limitation of entity-based scoring in existing KG-based methods, we leverage document texts as rich KG node representations and use document-based relation filtering for our Knowledge-Aware Retrieval (KAR). Extensive experiments on three datasets of diverse domains show the advantages of our method compared against state-of-the-art baselines on textual and relational semi-structured retrieval.

GINN-KAN: Interpretability pipelining with applications in Physics Informed Neural Networks

Neural networks are powerful function approximators, yet their ``black-box" nature often renders them opaque and difficult to interpret. While many post-hoc explanation methods exist, they typically fail to capture the underlying reasoning processes of the networks. A truly interpretable neural network would be trained similarly to conventional models using techniques such as backpropagation, but additionally provide insights into the learned input-output relationships. In this work, we introduce the concept of interpretability pipelineing, to incorporate multiple interpretability techniques to outperform each individual technique. To this end, we first evaluate several architectures that promise such interpretability, with a particular focus on two recent models selected for their potential to incorporate interpretability into standard neural network architectures while still leveraging backpropagation: the Growing Interpretable Neural Network (GINN) and Kolmogorov Arnold Networks (KAN). We analyze the limitations and strengths of each and introduce a novel interpretable neural network GINN-KAN that synthesizes the advantages of both models. When tested on the Feynman symbolic regression benchmark datasets, GINN-KAN outperforms both GINN and KAN. To highlight the capabilities and the generalizability of this approach, we position GINN-KAN as an alternative to conventional black-box networks in Physics-Informed Neural Networks (PINNs). We expect this to have far-reaching implications in the application of deep learning pipelines in the natural sciences. Our experiments with this interpretable PINN on 15 different partial differential equations demonstrate that GINN-KAN augmented PINNs outperform PINNs with black-box networks in solving differential equations and surpass the capabilities of both GINN and KAN.

Data-Driven Parametrization of Molecular Mechanics Force Fields for Expansive Chemical Space Coverage

A force field is a critical component in molecular dynamics simulations for computational drug discovery. It must achieve high accuracy within the constraints of molecular mechanics' (MM) limited functional forms, which offers high computational efficiency. With the rapid expansion of synthetically accessible chemical space, traditional look-up table approaches face significant challenges. In this study, we address this issue using a modern data-driven approach, developing ByteFF, an Amber-compatible force field for drug-like molecules. To create ByteFF, we generated an expansive and highly diverse molecular dataset at the B3LYP-D3(BJ)/DZVP level of theory. This dataset includes 2.4 million optimized molecular fragment geometries with analytical Hessian matrices, along with 3.2 million torsion profiles. We then trained an edge-augmented, symmetry-preserving molecular graph neural network (GNN) on this dataset, employing a carefully optimized training strategy. Our model predicts all bonded and non-bonded MM force field parameters for drug-like molecules simultaneously across a broad chemical space. ByteFF demonstrates state-of-the-art performance on various benchmark datasets, excelling in predicting relaxed geometries, torsional energy profiles, and conformational energies and forces. Its exceptional accuracy and expansive chemical space coverage make ByteFF a valuable tool for multiple stages of computational drug discovery.