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Dec 25

MemEvolve: Meta-Evolution of Agent Memory Systems

Self-evolving memory systems are unprecedentedly reshaping the evolutionary paradigm of large language model (LLM)-based agents. Prior work has predominantly relied on manually engineered memory architectures to store trajectories, distill experience, and synthesize reusable tools, enabling agents to evolve on the fly within environment interactions. However, this paradigm is fundamentally constrained by the staticity of the memory system itself: while memory facilitates agent-level evolving, the underlying memory architecture cannot be meta-adapted to diverse task contexts. To address this gap, we propose MemEvolve, a meta-evolutionary framework that jointly evolves agents' experiential knowledge and their memory architecture, allowing agent systems not only to accumulate experience but also to progressively refine how they learn from it. To ground MemEvolve in prior research and foster openness in future self-evolving systems, we introduce EvolveLab, a unified self-evolving memory codebase that distills twelve representative memory systems into a modular design space (encode, store, retrieve, manage), providing both a standardized implementation substrate and a fair experimental arena. Extensive evaluations on four challenging agentic benchmarks demonstrate that MemEvolve achieves (I) substantial performance gains, improving frameworks such as SmolAgent and Flash-Searcher by up to 17.06%; and (II) strong cross-task and cross-LLM generalization, designing memory architectures that transfer effectively across diverse benchmarks and backbone models.

  • 8 authors
·
Dec 21 1

LEGO-GraphRAG: Modularizing Graph-based Retrieval-Augmented Generation for Design Space Exploration

GraphRAG addresses significant challenges in Retrieval-Augmented Generation (RAG) by leveraging graphs with embedded knowledge to enhance the reasoning capabilities of Large Language Models (LLMs). Despite its promising potential, the GraphRAG community currently lacks a unified framework for fine-grained decomposition of the graph-based knowledge retrieval process. Furthermore, there is no systematic categorization or evaluation of existing solutions within the retrieval process. In this paper, we present LEGO-GraphRAG, a modular framework that decomposes the retrieval process of GraphRAG into three interconnected modules: subgraph-extraction, path-filtering, and path-refinement. We systematically summarize and classify the algorithms and neural network (NN) models relevant to each module, providing a clearer understanding of the design space for GraphRAG instances. Additionally, we identify key design factors, such as Graph Coupling and Computational Cost, that influence the effectiveness of GraphRAG implementations. Through extensive empirical studies, we construct high-quality GraphRAG instances using a representative selection of solutions and analyze their impact on retrieval and reasoning performance. Our findings offer critical insights into optimizing GraphRAG instance design, ultimately contributing to the advancement of more accurate and contextually relevant LLM applications.

  • 5 authors
·
Nov 6, 2024

Evolution Gym: A Large-Scale Benchmark for Evolving Soft Robots

Both the design and control of a robot play equally important roles in its task performance. However, while optimal control is well studied in the machine learning and robotics community, less attention is placed on finding the optimal robot design. This is mainly because co-optimizing design and control in robotics is characterized as a challenging problem, and more importantly, a comprehensive evaluation benchmark for co-optimization does not exist. In this paper, we propose Evolution Gym, the first large-scale benchmark for co-optimizing the design and control of soft robots. In our benchmark, each robot is composed of different types of voxels (e.g., soft, rigid, actuators), resulting in a modular and expressive robot design space. Our benchmark environments span a wide range of tasks, including locomotion on various types of terrains and manipulation. Furthermore, we develop several robot co-evolution algorithms by combining state-of-the-art design optimization methods and deep reinforcement learning techniques. Evaluating the algorithms on our benchmark platform, we observe robots exhibiting increasingly complex behaviors as evolution progresses, with the best evolved designs solving many of our proposed tasks. Additionally, even though robot designs are evolved autonomously from scratch without prior knowledge, they often grow to resemble existing natural creatures while outperforming hand-designed robots. Nevertheless, all tested algorithms fail to find robots that succeed in our hardest environments. This suggests that more advanced algorithms are required to explore the high-dimensional design space and evolve increasingly intelligent robots -- an area of research in which we hope Evolution Gym will accelerate progress. Our website with code, environments, documentation, and tutorials is available at http://evogym.csail.mit.edu.

  • 5 authors
·
Jan 24, 2022

LoRA-Mixer: Coordinate Modular LoRA Experts Through Serial Attention Routing

Recent efforts to combine low-rank adaptation (LoRA) with mixture-of-experts (MoE) for adapting large language models (LLMs) to multiple tasks still exhibit prevailing limitations: they either swap entire attention/feed-forward layers for switch experts or bolt on parallel expert branches, diluting parameter efficiency and task fidelity. We propose the LoRA-Mixer, a modular and lightweight MoE framework that integrates LoRA experts. Our core innovation lies in replacing the projection matrices of the attention module's input/output linear layers with dynamically routed, task-specific LoRA experts. This design ensures seamless compatibility with diverse foundation models, including transformers and state space models (SSMs), by leveraging their inherent linear projection structures. The framework supports two operational paradigms: (1) joint optimization of LoRA experts and routing mechanisms via a novel hard-soft routing strategy, or (2) direct deployment of pre-trained, frozen LoRA modules sourced from external repositories. To enable robust router training with limited data while ensuring stable routing decisions and maximizing expert reuse, we introduce an adaptive Specialization Balance Loss (SBL) that jointly optimizes expert balance and task-specific alignment. Extensive experiments on seven benchmark datasets, including MedQA, CoLA, SST-2, GSM8K, ARC-E, ARC-C, and HumanEval, demonstrate the effectiveness of LoRA-Mixer. On datasets such as GSM8K, HumanEval, and MedQA, LoRA-Mixer achieves significant improvements of 7.61%, 4.88%, and 3.08% over the base models, respectively. Compared with state-of-the-art methods, LoRA-Mixer achieves additional improvements of 1.09%, 1.45%, and 1.68%, respectively, using only 48% of the parameters, demonstrating its efficiency and strong performance.

  • 6 authors
·
Jun 17

PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

  • 3 authors
·
Dec 23, 2024 2