Abstract:Language agents increasingly operate over streams of related tasks, yet existing memory systems struggle to convert accumulated experience into reusable knowledge. Retrieval-augmented and structured memory methods record per-session observations effectively, but often couple acquisition and consolidation into a single online process, leaving the agent without a global view across sessions to discover recurring patterns, abstract shared procedures, or prune redundant entries. Inspired by complementary learning systems theory, we propose Auto-Dreamer, a learned offline consolidator for language-agent memory. Auto-Dreamer decouples fast per-session memory acquisition from slow cross-session consolidation. Given a selected working region of a typed memory bank, the consolidator treats the region as read-only evidence, performs bounded tool-use to inspect entries and provenance-linked source trajectories, and synthesizes a fresh compact replacement set that abstracts across sessions and supersedes the original region. We train Auto-Dreamer via GRPO, using end-to-end agent performance as the reward signal to learn how to consolidate memories acquired through fast online experience. Trained on ScienceWorld trajectories alone, Auto-Dreamer outperforms fixed, RL-trained, and prompted memory baselines on ScienceWorld by 7 points while using an active memory bank 12$\times$ smaller than the strongest baseline, and continues to lead on held-out ALFWorld and WebArena without retraining -- using 6$\times$ less memory than the strongest baseline on ALFWorld.
Abstract:LLM routing has achieved promising results in integrating the strengths of diverse models while balancing efficiency and performance. However, to support more realistic and challenging applications, routing must extend into agentic LLM settings, where task planning, multi-round cooperation among heterogeneous agents, and memory utilization are indispensable. To address this gap, we propose GraphPlanner, a heterogeneous graph memory-augmented agentic router for multi-agent LLMs that generates routing workflows for each query and supports both inductive and transductive inference. GraphPlanner formulates workflow generation as a Markov Decision Process (MDP), where at each step it selects both the LLM backbone and the agent role, including Planner, Executor, and Summarizer. By leveraging a heterogeneous graph, denoted as GARNet, to capture interaction memories among queries, agents, and responses, GraphPlanner integrates historical memory and workflow memory into richer state representations. The entire pipeline is optimized with reinforcement learning, jointly improving task-specific performance and computational efficiency. We evaluate GraphPlanner across 14 diverse LLM tasks and demonstrate that: (1) GraphPlanner outperforms strong single-round and multi-round routers, improving accuracy by up to 9.3% while reducing GPU cost from 186.26 GiB to 1.04 GiB; (2) GraphPlanner generalizes robustly to unseen tasks and LLMs, exhibiting strong zero-shot capabilities; and (3) GraphPlanner effectively leverages historical memories, supporting both inductive and transductive inference for more adaptive routing. Our code for GraphPlanner is released at https://github.com/ulab-uiuc/GraphPlanner.
Abstract:Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions, such as H-bond and π stacking, occur only under specific local conditions. Most existing approaches represent molecules as atom-level graphs; however, atom-level representations can hardly express higher-order chemical context (e.g., stereochemistry, lone pairs, conjugation). Fragment-based methods (e.g., principal subgraph, predefined functional groups) fail to preserve essential information such as chirality, aromaticity, and ionic states. This work addresses these limitations from two aspects. (i) OverlapBPE tokenization. We propose a novel data-driven molecule tokenization method. Unlike existing approaches, our method allows overlapping fragments, reflecting the inherently fuzzy boundaries of small-molecule substructures and, together with enriched chemical information at the token level, thereby preserving a more complete chemical context. (ii) h-MINT model. OverlapBPE induces many-to-many atom-fragment mappings, which necessitate a new hierarchical architecture. We therefore develop a hierarchical molecular interaction network capable of jointly modeling interactions at both atom and fragment levels. By supporting fragment overlaps, the model naturally accommodates the many-to-many atom-fragment mappings introduced by the OverlapBPE scheme. Extensive evaluation against state-of-the-art methods shows our method improves binding affinity prediction by 2-4% Pearson/Spearman correlation on PDBBind and LBA, enhances virtual screening by 1-3% in key metrics on DUD-E and LIT-PCBA, and achieves the best overall HTS performance on PubChem assays. Further analysis demonstrates that our method effectively captures interactive information while maintaining good generalization.
Abstract:Continuous diffusion has been the foundation of high-fidelity, controllable, and few-step generation of many data modalities such as images. However, in language modeling, prior continuous diffusion language models (DLMs) lag behind discrete counterparts due to the sparse data space and the underexplored design space. In this work, we close this gap with LangFlow, the first continuous DLM to rival discrete diffusion, by connecting embedding-space DLMs to Flow Matching via Bregman divergence, alongside three key innovations: (1) we derive a novel ODE-based NLL bound for principled evaluation of continuous flow-based language models; (2) we propose an information-uniform principle for setting the noise schedule, which motivates a learnable noise scheduler based on a Gumbel distribution; and (3) we revise prior training protocols by incorporating self-conditioning, as we find it improves both likelihood and sample quality of embedding-space DLMs with effects substantially different from discrete diffusion. Putting everything together, LangFlow rivals top discrete DLMs on both the perplexity (PPL) and the generative perplexity (Gen. PPL), reaching a PPL of 30.0 on LM1B and 24.6 on OpenWebText. It even exceeds autoregressive baselines in zero-shot transfer on 4 out of 7 benchmarks. LangFlow provides the first clear evidence that continuous diffusion is a promising paradigm for language modeling. Homepage: https://github.com/nealchen2003/LangFlow
Abstract:Large language models (LLMs) have transformed AI research thanks to their powerful internal capabilities and knowledge. However, existing LLMs still fail to effectively incorporate the massive external knowledge when interacting with the world. Although retrieval-augmented LLMs are proposed to mitigate the issue, they are still fundamentally constrained by the context length of LLMs, as they can only retrieve top-K raw data chunks from the external knowledge base which often consists of millions of data chunks. Here we propose Thought-Retriever, a novel model-agnostic algorithm that helps LLMs generate output conditioned on arbitrarily long external data, without being constrained by the context length or number of retrieved data chunks. Our key insight is to let an LLM fully leverage its intermediate responses generated when solving past user queries (thoughts), filtering meaningless and redundant thoughts, organizing them in thought memory, and retrieving the relevant thoughts when addressing new queries. This effectively equips LLM-based agents with a self-evolving long-term memory that grows more capable through continuous interaction. Besides algorithmic innovation, we further meticulously prepare a novel benchmark, AcademicEval, which requires an LLM to faithfully leverage ultra-long context to answer queries based on real-world academic papers. Extensive experiments on AcademicEval and two other public datasets validate that Thought-Retriever remarkably outperforms state-of-the-art baselines, achieving an average increase of at least 7.6% in F1 score and 16% in win rate across various tasks. More importantly, we further demonstrate two exciting findings: (1) Thought-Retriever can indeed help LLM self-evolve after solving more user queries; (2) Thought-Retriever learns to leverage deeper thoughts to answer more abstract user queries.
Abstract:Relational Databases (RDBs) are the backbone of modern business, yet they lack foundation models comparable to those in text or vision. A key obstacle is that high-quality RDBs are private, scarce and structurally heterogeneous, making internet-scale pre-training infeasible. To overcome this data scarcity, We introduce $\textbf{RDB-PFN}$, the first relational foundation model trained purely via $\textbf{synthetic data}$. Inspired by Prior-Data Fitted Networks (PFNs) where synthetic data generated from Structural Causal Models (SCMs) enables reasoning on single tables, we design a $\textbf{Relational Prior Generator}$ to create an infinite stream of diverse RDBs from scratch. Pre-training on $\textbf{over 2 million}$ synthetic single-table and relational tasks, RDB-PFN learns to adapt to any new database instantly via genuine $\textbf{in-context learning}$. Experiments verify RDB-PFN achieves strong few-shot performance on 19 real-world relational prediction tasks, outperforming graph-based and single-table foundation-model baselines (given the same DFS-linearized inputs), while using a lightweight architecture and fast inference. The code is available at https://github.com/MuLabPKU/RDBPFN
Abstract:Activation steering has emerged as a promising approach for efficiently adapting large language models (LLMs) to downstream behaviors. However, most existing steering methods rely on a single static direction per task or concept, making them inflexible under task variation and inadequate for complex tasks that require multiple coordinated capabilities. To address this limitation, we propose STEER2ADAPT, a lightweight framework that adapts LLMs by composing steering vectors rather than learning new ones from scratch. In many domains (e.g., reasoning or safety), tasks share a small set of underlying concept dimensions. STEER2ADAPT captures these dimensions as a reusable, low-dimensional semantic prior subspace, and adapts to new tasks by dynamically discovering a linear combination of basis vectors from only a handful of examples. Experiments across 9 tasks and 3 models in both reasoning and safety domains demonstrate the effectiveness of STEER2ADAPT, achieving an average improvement of 8.2%. Extensive analyses further show that STEER2ADAPT is a data-efficient, stable, and transparent inference-time adaptation method for LLMs.
Abstract:Memory is increasingly central to Large Language Model (LLM) agents operating beyond a single context window, yet most existing systems rely on offline, query-agnostic memory construction that can be inefficient and may discard query-critical information. Although runtime memory utilization is a natural alternative, prior work often incurs substantial overhead and offers limited explicit control over the performance-cost trade-off. In this work, we present \textbf{BudgetMem}, a runtime agent memory framework for explicit, query-aware performance-cost control. BudgetMem structures memory processing as a set of memory modules, each offered in three budget tiers (i.e., \textsc{Low}/\textsc{Mid}/\textsc{High}). A lightweight router performs budget-tier routing across modules to balance task performance and memory construction cost, which is implemented as a compact neural policy trained with reinforcement learning. Using BudgetMem as a unified testbed, we study three complementary strategies for realizing budget tiers: implementation (method complexity), reasoning (inference behavior), and capacity (module model size). Across LoCoMo, LongMemEval, and HotpotQA, BudgetMem surpasses strong baselines when performance is prioritized (i.e., high-budget setting), and delivers better accuracy-cost frontiers under tighter budgets. Moreover, our analysis disentangles the strengths and weaknesses of different tiering strategies, clarifying when each axis delivers the most favorable trade-offs under varying budget regimes.
Abstract:Large language models (LLMs) are increasingly evaluated in interactive environments to test their social intelligence. However, existing benchmarks often assume idealized communication between agents, limiting our ability to diagnose whether LLMs can maintain and repair interactions in more realistic, imperfect settings. To close this gap, we present \textsc{SocialVeil}, a social learning environment that can simulate social interaction under cognitive-difference-induced communication barriers. Grounded in a systematic literature review of communication challenges in human interaction, \textsc{SocialVeil} introduces three representative types of such disruption, \emph{semantic vagueness}, \emph{sociocultural mismatch}, and \emph{emotional interference}. We also introduce two barrier-aware evaluation metrics, \emph{unresolved confusion} and \emph{mutual understanding}, to evaluate interaction quality under impaired communication. Experiments across 720 scenarios and four frontier LLMs show that barriers consistently impair performance, with mutual understanding reduced by over 45\% on average, and confusion elevated by nearly 50\%. Human evaluations validate the fidelity of these simulated barriers (ICC$\approx$0.78, Pearson r$\approx$0.80). We further demonstrate that adaptation strategies (Repair Instruction and Interactive learning) only have a modest effect far from barrier-free performance. This work takes a step toward bringing social interaction environments closer to real-world communication, opening opportunities for exploring the social intelligence of LLM agents.
Abstract:Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundaries extend. Existing benchmarks are mostly static and provide limited support for systematic knowledge probing. In this paper, we propose an interactive agentic framework to systematically extract and quantify the knowledge of LLMs. Our method includes four adaptive exploration policies to probe knowledge at different granularities. To ensure the quality of extracted knowledge, we introduce a three-stage knowledge processing pipeline that combines vector-based filtering to remove exact duplicates, LLM-based adjudication to resolve ambiguous semantic overlaps, and domain-relevance auditing to retain valid knowledge units. Through extensive experiments, we find that recursive taxonomy is the most effective exploration strategy. We also observe a clear knowledge scaling law, where larger models consistently extract more knowledge. In addition, we identify a Pass@1-versus-Pass@k trade-off: domain-specialized models achieve higher initial accuracy but degrade rapidly, while general-purpose models maintain stable performance during extended extraction. Finally, our results show that differences in training data composition lead to distinct and measurable knowledge profiles across model families.