Recent advancements in Transformer-based large language models (LLMs) have set new standards in natural language processing. However, the classical softmax attention incurs significant computational costs, leading to a $O(T)$ complexity for per-token generation, where $T$ represents the context length. This work explores reducing LLMs' complexity while maintaining performance by introducing Rodimus and its enhanced version, Rodimus$+$. Rodimus employs an innovative data-dependent tempered selection (DDTS) mechanism within a linear attention-based, purely recurrent framework, achieving significant accuracy while drastically reducing the memory usage typically associated with recurrent models. This method exemplifies semantic compression by maintaining essential input information with fixed-size hidden states. Building on this, Rodimus$+$ combines Rodimus with the innovative Sliding Window Shared-Key Attention (SW-SKA) in a hybrid approach, effectively leveraging the complementary semantic, token, and head compression techniques. Our experiments demonstrate that Rodimus$+$-1.6B, trained on 1 trillion tokens, achieves superior downstream performance against models trained on more tokens, including Qwen2-1.5B and RWKV6-1.6B, underscoring its potential to redefine the accuracy-efficiency balance in LLMs. Model code and pre-trained checkpoints are open-sourced at https://github.com/codefuse-ai/rodimus.
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Deep Learning · Everything Else
Humans can naturally learn new and varying tasks in a sequential manner. Continual learning is a class of learning algorithms that updates its learned model as it sees new data (on potentially new tasks) in a sequence. A key challenge in continual learning is that as the model is updated to learn new tasks, it becomes susceptible to \textit{catastrophic forgetting}, where knowledge of previously learned tasks is lost. A popular approach to mitigate forgetting during continual learning is to maintain a small buffer of previously-seen samples, and to replay them during training. However, this approach is limited by the small buffer size and, while forgetting is reduced, it is still present. In this paper, we proposea novel loss function STAR that exploits the worst-case parameter perturbation that reduces the KL-divergence of model predictions with that of its local parameter neighborhood to promote stability and alleviate forgetting. STAR can be combined with almost any existing rehearsal-based methods as a plug-and-play component. We empirically show that STAR consistently improves performance of existing methods by up to $\sim15\\%$ across varying baselines, and achieves superior or competitive accuracy to that of state-of-the-art methods aimed at improving rehearsal-based continual learning. Our implementation is available at https://github.com/Gnomy17/STAR_CL.
Applications · Chemistry and Drug Discovery
Antibodies are essential proteins responsible for immune responses in organisms, capable of specifically recognizing antigen molecules of pathogens. Recent advances in generative models have significantly enhanced rational antibody design. However, existing methods mainly create antibodies from scratch without template constraints, leading to model optimization challenges and unnatural sequences. To address these issues, we propose a retrieval-augmented diffusion framework, termed RADAb, for efficient antibody design. Our method leverages a set of structural homologous motifs that align with query structural constraints to guide the generative model in inversely optimizing antibodies according to desired design criteria. Specifically, we introduce a structure-informed retrieval mechanism that integrates these exemplar motifs with the input backbone through a novel dual-branch denoising module, utilizing both structural and evolutionary information. Additionally, we develop a conditional diffusion model that iteratively refines the optimization process by incorporating both global context and local evolutionary conditions. Our approach is agnostic to the choice of generative models. Empirical experiments demonstrate that our method achieves state-of-the-art performance in multiple antibody inverse folding and optimization tasks, offering a new perspective on biomolecular generative models.
Deep Learning · Large Language Models
Recent advancements in large language models have significantly improved their context windows, yet challenges in effective long-term memory management remain. We introduce MemTree, an algorithm that leverages a dynamic, tree-structured memory representation to optimize the organization, retrieval, and integration of information, akin to human cognitive schemas. MemTree organizes memory hierarchically, with each node encapsulating aggregated textual content, corresponding semantic embeddings, and varying abstraction levels across the tree's depths. Our algorithm dynamically adapts this memory structure by computing and comparing semantic embeddings of new and existing information to enrich the model’s context-awareness. This approach allows MemTree to handle complex reasoning and extended interactions more effectively than traditional memory augmentation methods, which often rely on flat lookup tables. Evaluations on benchmarks for multi-turn dialogue understanding and document question answering show that MemTree significantly enhances performance in scenarios that demand structured memory management.
Deep Learning · Large Language Models
Jailbreak attacks circumvent LLMs' built-in safeguards by concealing harmful queries within adversarial prompts. While most existing defenses attempt to mitigate the effects of adversarial prompts, they often prove inadequate as adversarial prompts can take arbitrary, adaptive forms. This paper introduces RobustKV, a novel jailbreak defense that takes a fundamentally different approach by selectively removing critical tokens of harmful queries from key-value (KV) caches. Intuitively, for an adversarial prompt to be effective, its tokens must achieve sufficient `importance' (measured by attention scores), which consequently lowers the importance of tokens in the concealed harmful query. Therefore, by carefully evicting the KVs of low-ranked tokens, RobustKV minimizes the harmful query's presence in the KV cache, thus preventing the LLM from generating informative responses. Extensive evaluation using benchmark datasets and models demonstrates that RobustKV effectively counters state-of-the-art jailbreak attacks while maintaining the LLM's performance on benign queries. Notably, RobustKV creates an interesting effectiveness-evasiveness dilemma for the adversary, leading to its robustness against adaptive attacks.{(Warning: This paper contains potentially harmful content generated by LLMs.)}
Reinforcement Learning · Batch/Offline
The recent advances in information technology and artificial intelligence have fueled a rapid expansion of the data center (DC) industry worldwide, accompanied by an immense appetite for electricity to power the DCs. In a typical DC, around 30-40% of the energy is spent on the cooling system rather than on computer servers, posing a pressing need for developing new energy-saving optimization technologies for DC cooling systems. However, optimizing such real-world industrial systems faces numerous challenges, including but not limited to a lack of reliable simulation environments, limited historical data, and stringent safety and control robustness requirements. In this work, we present a novel physics-informed offline reinforcement learning (RL) framework for energy efficiency optimization of DC cooling systems. The proposed framework models the complex dynamical patterns and physical dependencies inside a server room using a purposely designed graph neural network architecture that is compliant with the fundamental time-reversal symmetry. Because of its well-behaved and generalizable state-action representations, the model enables sample-efficient and robust latent space offline policy learning using limited real-world operational data. Our framework has been successfully deployed and verified in a large-scale production DC for closed-loop control of its air-cooling units (ACUs). We conducted a total of 2000 hours of short and long-term experiments in the production DC environment. The results show that our method achieves 14-21% energy savings in the DC cooling system, without any violation of the safety or operational constraints. We have also conducted a comprehensive evaluation of our approach in a real-world DC testbed environment. Our results have demonstrated the significant potential of offline RL in solving a broad range of data-limited, safety-critical real-world industrial control problems.
Deep Learning · Large Language Models
Lean is an advanced proof assistant designed to facilitate formal theorem proving by providing a variety of interactive feedback. In this paper, we explore methodologies to leverage proof assistant feedback to augment the capabilities of large language models in constructing formal proofs. First, we deploy online reinforcement learning using Lean verification outcomes as the reward signal to improve the proof completion policy. This straightforward approach shows great promise in enhancing the model's alignment with the formal verification system. In addition, we propose RMaxTS, a variant of Monte-Carlo tree search that employs an intrinsic-reward-driven exploration strategy to generate diverse proof paths. The tree structure is organized to represent the transitions of intermediate tactic states, extracted from the compilation messages given by Lean's tactic mode. The intrinsic reward is constructed to incentivize the discovery of novel tactic states, which helps to to mitigate the sparse-reward problem inherent in proof search. These techniques lead to a more efficient planning scheme for formal proof generation, achieving new state-of-the-art results on both miniF2F and ProofNet benchmarks.
Applications · Computer Vision
Large vision and language assistants have enabled new capabilities for interpreting natural images. These approaches have recently been adapted to earth observation data, but they are only able to handle single image inputs, limiting their use for many real-world tasks. In this work, we develop a new vision and language assistant called TEOChat that can engage in conversations about temporal sequences of earth observation data. To train TEOChat, we curate an instruction-following dataset composed of many single image and temporal tasks including building change and damage assessment, semantic change detection, and temporal scene classification. We show that TEOChat can perform a wide variety of spatial and temporal reasoning tasks, substantially outperforming previous vision and language assistants, and even achieving comparable or better performance than several specialist models trained to perform specific tasks. Furthermore, TEOChat achieves impressive zero-shot performance on a change detection and change question answering dataset, outperforms GPT-4o and Gemini 1.5 Pro on multiple temporal tasks, and exhibits stronger single image capabilities than a comparable single image instruction-following model on scene classification, visual question answering, and captioning. We publicly release our data, models, and code at https://github.com/ermongroup/TEOChat .
Applications · Computer Vision
Visual instructions for long-horizon tasks are crucial as they intuitively clarify complex concepts and enhance retention across extended steps. Directly generating a series of images using text-to-image models without considering the context of previous steps results in inconsistent images, increasing cognitive load. Additionally, the generated images often miss objects or the attributes such as color, shape, and state of the objects are inaccurate.To address these challenges, we propose LIGER, the first training-free framework for Long-horizon Instruction GEneration with logic and attribute self-Reflection. LIGER first generates a draft image for each step with the historical prompt and visual memory of previous steps. This step-by-step generation approach maintains consistency between images in long-horizon tasks. Moreover, LIGER utilizes various image editing tools to rectify errors including wrong attributes, logic errors, object redundancy, and identity inconsistency in the draft images. Through this self-reflection mechanism, LIGER improves the logic and object attribute correctness of the images.To verify whether the generated images assist human understanding, we manually curated a new benchmark consisting of various long-horizon tasks. Human-annotated ground truth expressions reflect the human-defined criteria for how an image should appear to be illustrative. Experiments demonstrate the visual instructions generated by LIGER are more comprehensive compared with baseline methods. The code and dataset will be available once accepted.
It is widely acknowledged that the performance of Transformer models is logarithmically related to their number of parameters and computational complexity. While approaches like Mixture of Experts (MoE) decouple parameter count from computational complexity, they still face challenges in inference due to high memory access costs. This work introduces UltraMem, incorporating large-scale, ultra-sparse memory layer to address these limitations. Our approach significantly reduces inference latency while maintaining model performance. We also investigate the scaling laws of this new architecture, demonstrating that it not only exhibits favorable scaling properties but outperforms MoE. In experiments, the largest UltraMem we train has \textbf{20 million} memory slots. The results show that our method achieves state-of-the-art inference speed and model performance within a given computational budget, paving the way for billions of slots or experts.
Drug discovery is crucial for identifying candidate drugs for various diseases. However, its low success rate often results in a scarcity of annotations, posing a few-shot learning problem. Existing methods primarily focus on single-scale features, overlooking the hierarchical molecular structures that determine different molecular properties. To address these issues, we introduce Universal Matching Networks (UniMatch), a dual matching framework that integrates explicit hierarchical molecular matching with implicit task-level matching via meta-learning, bridging multi-level molecular representations and task-level generalization. Specifically, our approach explicitly captures structural features across multiple levels—atoms, substructures, and molecules—via hierarchical pooling and matching, facilitating precise molecular representation and comparison. Additionally, we employ a meta-learning strategy for implicit task-level matching, allowing the model to capture shared patterns across tasks and quickly adapt to new ones. This unified matching framework ensures effective molecular alignment while leveraging shared meta-knowledge for fast adaptation. Our experimental results demonstrate that UniMatch outperforms state-of-the-art methods on the MoleculeNet and FS-Mol benchmarks, achieving improvements of 2.87% in AUROC and 6.52% in ∆AUPRC. UniMatch also shows excellent generalization ability on the Meta-MolNet benchmark.
High-quality preference data is essential for aligning foundation models with human values through preference learning. However, manual annotation of such data is often time-consuming and costly. Recent methods often adopt a self-rewarding approach, where the target model generates and annotates its own preference data, but this can lead to inaccuracies since the reward model shares weights with the target model, thereby amplifying inherent biases. To address these issues, we propose Anyprefer, a framework designed to synthesize high-quality preference data for aligning the target model. Anyprefer frames the data synthesis process as a cooperative two-player Markov Game, where the target model and the judge model collaborate together. Here, a series of external tools are introduced to assist the judge model in accurately rewarding the target model’s responses, mitigating biases in the rewarding process. In addition, a feedback mechanism is introduced to optimize prompts for both models, enhancing collaboration and improving data quality. The synthesized data is compiled into a new preference dataset, Anyprefer-V1, consisting of 58K high-quality preference pairs. Extensive experiments show that Anyprefer significantly improves model alignment performance across four main applications, covering 21 datasets, achieving average improvements of 18.55% in five natural language generation datasets, 3.66% in nine vision-language understanding datasets, 30.05% in three medical image analysis datasets, and 16.00% in four visuo-motor control tasks.
Deep Learning · Graph Neural Networks
Temporal Graph Neural Networks (TGNNs) lay emphasis on capturing node interactions over time but often overlook evolution in node classes and dynamic data distributions triggered by the continuous emergence of new class labels, known as the open-set problem. This problem poses challenges for existing TGNNs in preserving learned classes while rapidly adapting to new, unseen classes. To address this, this paper identifies two primary factors affecting model performance on the open temporal graph, backed by a theoretical guarantee: (1) the forgetting of prior knowledge and (2) distribution discrepancies between successive tasks. Building on these insights, we propose N-ForGOT, which incorporates two plug-in modules into TGNNs to preserve prior knowledge and enhance model generalizability for new classes simultaneously. The first module preserves previously established inter-class connectivity and decision boundaries during the training of new classes to mitigate the forgetting caused by temporal evolutions of class characteristics. The second module introduces an efficient method for measuring distribution discrepancies with designed temporal Weisfeiler-Lehman subtree patterns, effectively addressing both structural and temporal shifts while reducing time complexity. Experimental results on four public datasets demonstrate that our method significantly outperforms state-of-the-art approaches in prediction accuracy, prevention of forgetting, and generalizability.
Applications · Computer Vision
We propose a new task and model for dense video object captioning -- detecting, tracking and captioning trajectories of objects in a video. This task unifies spatial and temporal localization in video, whilst also requiring fine-grained visual understanding that is best described by natural language. We propose a unified model, and demonstrate how our end-to-end approach is more accurate and temporally coherent than a multi-stage pipeline combining state-of-the-art detection, tracking, and captioning models. Moreover, we propose a training strategy based on a mixture of disjoint tasks, which allows us to leverage diverse, large-scale datasets which supervise different parts of our model. Although each pretraining task only provides weak supervision, they are complementary and, when combined, result in noteworthy zero-shot ability and serve as strong initialization for additional finetuning to further improve accuracy. We carefully design new metrics capturing all components of our task, and show how we can repurpose existing video grounding datasets (e.g. VidSTG and VLN) for our new task. We show that our model improves upon a number of strong baselines for this new task. Furthermore, we can apply our model to the task of spatial grounding, outperforming prior state-of-the-art on VidSTG and VLN, without explicitly training for it. Our code is available at https://github.com/google-research/scenic.
Applications · Computer Vision
The objective of the collaborative perception task is to enhance the individual agent's perception capability through message communication among neighboring agents. A central challenge lies in optimizing the inherent trade-off between perception ability and communication cost. To tackle this bottleneck issue, we argue that a good message unit should encapsulate both semantic and structural information in a sparse format, a feature not present in prior approaches. In this paper, we innovatively propose a compact message unit, namely point cluster, whose core idea is to represent potential objects efficiently with explicitly decoupled low-level structure information and high-level semantic information. Building upon this new message unit, we propose a comprehensive framework CPPC for communication-efficient collaborative perception. The core principle of CPPC is twofold: first, through strategical point sampling, structure information can be well preserved with a few key points, which can significantly reduce communication cost; second, the sequence format of point clusters enables efficient message aggregation by set matching and merging, thereby eliminating unnecessary computation generated when aligning squared BEV maps, especially for long-range collaboration. To handle time latency and pose errors encountered in real-world scenarios, we also carefully design parameter-free solutions that can adapt to different noisy levels without finetuning. Experiments on two widely recognized collaborative perception benchmarks showcase the superior performance of our method compared to the previous state-of-the-art approaches.
Applications · Chemistry and Drug Discovery
Molecular docking is a key task in computational biology that has attracted increasing interest from the machine learning community. While existing methods have achieved success, they generally treat each protein-ligand pair in isolation. Inspired by the biochemical observation that ligands binding to the same target protein tend to adopt similar poses, we propose \textsc{GroupBind}, a novel molecular docking framework that simultaneously considers multiple ligands docking to a protein. This is achieved by introducing an interaction layer for the group of ligands and a triangle attention module for embedding protein-ligand and group-ligand pairs. By integrating our approach with diffusion based docking model, we set a new state-of-the-art performance on the PDBBind blind docking benchmark, demonstrating the effectiveness of our paradigm in enhancing molecular docking accuracy.
Deep Learning · Large Language Models
Augmenting the multi-step reasoning abilities of Large Language Models (LLMs) has been a persistent challenge. Recently, verification has shown promise in improving solution consistency by evaluating generated outputs. However, current verification approaches suffer from sampling inefficiencies, requiring a large number of samples to achieve satisfactory performance. Additionally, training an effective verifier often depends on extensive process supervision, which is costly to acquire. In this paper, we address these limitations by introducing a novel verification method based on Twisted Sequential Monte Carlo (TSMC). TSMC sequentially refines its sampling effort to focus exploration on promising candidates, resulting in more efficient generation of high-quality solutions. We apply TSMC to LLMs by estimating the expected future rewards at partial solutions. This approach results in a more straightforward training target that eliminates the need for step-wise human annotations. We empirically demonstrate the advantages of our method across multiple math benchmarks, and also validate our theoretical analysis of both our approach and existing verification methods.
Applications · Robotics
Heterogeneous multi-robot systems (HMRS) have emerged as a powerful ap-proach for tackling complex tasks that single robots cannot manage alone. Currentlarge-language-model-based multi-agent systems (LLM-based MAS) have shownsuccess in areas like software development and operating systems, but applyingthese systems to robot control presents unique challenges. In particular, the ca-pabilities of each agent in a multi-robot system are inherently tied to the physicalcomposition of the robots, rather than predefined roles. To address this issue,we introduce a novel multi-agent framework designed to enable effective collab-oration among heterogeneous robots with varying embodiments and capabilities,along with a new benchmark named Habitat-MAS. One of our key designs isRobot Resume: Instead of adopting human-designed role play, we propose a self-prompted approach, where agents comprehend robot URDF files and call robotkinematics tools to generate descriptions of their physics capabilities to guidetheir behavior in task planning and action execution. The Habitat-MAS bench-mark is designed to assess how a multi-agent framework handles tasks that requireembodiment-aware reasoning, which includes 1) manipulation, 2) perception, 3)navigation, and 4) comprehensive multi-floor object rearrangement. The experi-mental results indicate that the robot’s resume and the hierarchical design of ourmulti-agent system are essential for the effective operation of the heterogeneousmulti-robot system within this intricate problem context.
Reinforcement Learning · Everything Else
Reinforcement Learning from Human Feedback (RLHF) has emerged as a standard and effective approach for training large language models (LLMs) with human preferences. In this framework, a learned reward model approximates human preferences and guides policy optimization, making it crucial to develop an accurate reward model. However, without the ``true'' reward function, challenges arise when the reward model is an imperfect proxy for human preference. Since the policy optimization continuously shifts the human preference training dataset's distribution. The fixed reward model suffers from this problem of off-distribution, especially the on policy methods. While collecting new preference data can mitigate this issue, it is costly and challenging to optimize. Thus, reusing the policy interaction samples becomes a possible way to further refine the reward model. To tackle these challenges, we introduce a novel method \textbf{U}ncertainty-\textbf{G}radient based \textbf{D}ata \textbf{A}ugmentation (\textbf{UGDA} for short) to enhance reward modeling by leveraging policy samples to maintain on-distribution performance. Specifically, UGDA selects interaction samples based on the uncertainty of the reward ensembles and the gradient based influence of policy optimization. After the reward relabeling of selected samples, we use supervised learning to refine the reward ensembles, then get the retrained policy. Extensive experiments demonstrate that by leveraging UGDA to select a few samples without the costly human preference data collection, we can improve the ability of the policy and surpass the state-of-the-art methods.
Applications · Computer Vision
Recently, large-scale diffusion models have made impressive progress in text-to-image (T2I) generation. To further equip these T2I models with fine-grained spatial control, approaches like ControlNet introduce an extra network that learns to follow a condition image. However, for every single condition type, ControlNet requires independent training on millions of data pairs with hundreds of GPU hours, which is quite expensive and makes it challenging for ordinary users to explore and develop new types of conditions. To address this problem, we propose the CtrLoRA framework, which trains a Base ControlNet to learn the common knowledge of image-to-image generation from multiple base conditions, along with condition-specific LoRAs to capture distinct characteristics of each condition. Utilizing our pretrained Base ControlNet, users can easily adapt it to new conditions, requiring as few as 1,000 data pairs and less than one hour of single-GPU training to obtain satisfactory results in most scenarios. Moreover, our CtrLoRA reduces the learnable parameters by 90% compared to ControlNet, significantly lowering the threshold to distribute and deploy the model weights. Extensive experiments on various types of conditions demonstrate the efficiency and effectiveness of our method. Codes and model weights will be released athttps://github.com/xyfJASON/ctrlora.