Daily Papers

Existing portrait matting methods either require auxiliary inputs that are costly to obtain or involve multiple stages that are computationally expensive, making them less suitable for real-time applications. In this work, we present a light-weight matting objective decomposition network (MODNet) for portrait matting in real-time with a single input image. The key idea behind our efficient design is by optimizing a series of sub-objectives simultaneously via explicit constraints. In addition, MODNet includes two novel techniques for improving model efficiency and robustness. First, an Efficient Atrous Spatial Pyramid Pooling (e-ASPP) module is introduced to fuse multi-scale features for semantic estimation. Second, a self-supervised sub-objectives consistency (SOC) strategy is proposed to adapt MODNet to real-world data to address the domain shift problem common to trimap-free methods. MODNet is easy to be trained in an end-to-end manner. It is much faster than contemporaneous methods and runs at 67 frames per second on a 1080Ti GPU. Experiments show that MODNet outperforms prior trimap-free methods by a large margin on both Adobe Matting Dataset and a carefully designed photographic portrait matting (PPM-100) benchmark proposed by us. Further, MODNet achieves remarkable results on daily photos and videos. Our code and models are available at https://github.com/ZHKKKe/MODNet, and the PPM-100 benchmark is released at https://github.com/ZHKKKe/PPM.

Mixup is a well-known data-dependent augmentation technique for DNNs, consisting of two sub-tasks: mixup generation and classification. However, the recent dominant online training method confines mixup to supervised learning (SL), and the objective of the generation sub-task is limited to selected sample pairs instead of the whole data manifold, which might cause trivial solutions. To overcome such limitations, we comprehensively study the objective of mixup generation and propose Scenario-Agnostic Mixup (SAMix) for both SL and Self-supervised Learning (SSL) scenarios. Specifically, we hypothesize and verify the objective function of mixup generation as optimizing local smoothness between two mixed classes subject to global discrimination from other classes. Accordingly, we propose eta-balanced mixup loss for complementary learning of the two sub-objectives. Meanwhile, a label-free generation sub-network is designed, which effectively provides non-trivial mixup samples and improves transferable abilities. Moreover, to reduce the computational cost of online training, we further introduce a pre-trained version, SAMix^P, achieving more favorable efficiency and generalizability. Extensive experiments on nine SL and SSL benchmarks demonstrate the consistent superiority and versatility of SAMix compared with existing methods.

Temporal Knowledge Graph Question Answering (TKGQA) aims to answer time-sensitive questions by leveraging factual information from Temporal Knowledge Graphs (TKGs). While previous studies have employed pre-trained TKG embeddings or graph neural networks to inject temporal knowledge, they fail to fully understand the complex semantic information of time constraints. Recently, Large Language Models (LLMs) have shown remarkable progress, benefiting from their strong semantic understanding and reasoning generalization capabilities. However, their temporal reasoning ability remains limited. LLMs frequently suffer from hallucination and a lack of knowledge. To address these limitations, we propose the Plan of Knowledge framework with a contrastive temporal retriever, which is named PoK. Specifically, the proposed Plan of Knowledge module decomposes a complex temporal question into a sequence of sub-objectives from the pre-defined tools, serving as intermediate guidance for reasoning exploration. In parallel, we construct a Temporal Knowledge Store (TKS) with a contrastive retrieval framework, enabling the model to selectively retrieve semantically and temporally aligned facts from TKGs. By combining structured planning with temporal knowledge retrieval, PoK effectively enhances the interpretability and factual consistency of temporal reasoning. Extensive experiments on four benchmark TKGQA datasets demonstrate that PoK significantly improves the retrieval precision and reasoning accuracy of LLMs, surpassing the performance of the state-of-the-art TKGQA methods by 56.0% at most.

Existing text-to-image diffusion models have demonstrated remarkable capabilities in generating high-quality images guided by textual prompts. However, achieving multi-subject compositional synthesis with precise spatial control remains a significant challenge. In this work, we address the task of layout-controllable multi-subject synthesis (LMS), which requires both faithful reconstruction of reference subjects and their accurate placement in specified regions within a unified image. While recent advancements have separately improved layout control and subject synthesis, existing approaches struggle to simultaneously satisfy the dual requirements of spatial precision and identity preservation in this composite task. To bridge this gap, we propose MUSE, a unified synthesis framework that employs concatenated cross-attention (CCA) to seamlessly integrate layout specifications with textual guidance through explicit semantic space expansion. The proposed CCA mechanism enables bidirectional modality alignment between spatial constraints and textual descriptions without interference. Furthermore, we design a progressive two-stage training strategy that decomposes the LMS task into learnable sub-objectives for effective optimization. Extensive experiments demonstrate that MUSE achieves zero-shot end-to-end generation with superior spatial accuracy and identity consistency compared to existing solutions, advancing the frontier of controllable image synthesis. Our code and model are available at https://github.com/pf0607/MUSE.

It is a long-lasting goal to design an embodied system that can solve long-horizon open-world tasks in human-like ways. However, existing approaches usually struggle with compound difficulties caused by the logic-aware decomposition and context-aware execution of these tasks. To this end, we introduce MP5, an open-ended multimodal embodied system built upon the challenging Minecraft simulator, which can decompose feasible sub-objectives, design sophisticated situation-aware plans, and perform embodied action control, with frequent communication with a goal-conditioned active perception scheme. Specifically, MP5 is developed on top of recent advances in Multimodal Large Language Models (MLLMs), and the system is modulated into functional modules that can be scheduled and collaborated to ultimately solve pre-defined context- and process-dependent tasks. Extensive experiments prove that MP5 can achieve a 22% success rate on difficult process-dependent tasks and a 91% success rate on tasks that heavily depend on the context. Moreover, MP5 exhibits a remarkable ability to address many open-ended tasks that are entirely novel.

The capabilities of Large Language Models (LLMs) in code generation, particularly for implementing target functionalities from natural language descriptions, have been extensively studied. As an alternative form of natural language, input-output examples (I/O examples) provide an accessible, unambiguous, and flexible way to describe functionalities, but the diversity, sparseness, and incompleteness of I/O examples also place challenges on understanding and implementing requirements. Therefore, generating code from input-output examples (i.e., example-based code generation) provides a new perspective, allowing us to evaluate LLMs' capability to infer target functionalities from limited information and to process new-form requirements. However, related research about LLMs in example-based code generation remains largely unexplored. To fill this gap, this paper presents the first comprehensive study on example-based code generation using LLMs. To address the incorrectness caused by the incompleteness of I/O examples, we adopt an iterative evaluation framework and formalize the objective of example-based code generation as two sequential sub-objectives: generating code conforming to given examples and generating code that successfully implements the target functionalities from (iteratively) given examples. We assess six state-of-the-art LLMs using a new benchmark of 168 diverse target functionalities. The results demonstrate that when requirements were described using iterative I/O examples rather than natural language, the LLMs' score decreased by over 60%, indicating that example-based code generation remains challenging for the evaluated LLMs. More interestingly, the vast majority (even over 95%) of successfully implemented functionalities are achieved in the first round of iterations, suggesting that the LLMs struggle to effectively utilize the iteratively supplemented requirements.

Large Language Models (LLMs) have shown remarkable reasoning capabilities on complex tasks, but they still suffer from out-of-date knowledge, hallucinations, and opaque decision-making. In contrast, Knowledge Graphs (KGs) can provide explicit and editable knowledge for LLMs to alleviate these issues. Existing paradigm of KG-augmented LLM manually predefines the breadth of exploration space and requires flawless navigation in KGs. However, this paradigm cannot adaptively explore reasoning paths in KGs based on the question semantics and self-correct erroneous reasoning paths, resulting in a bottleneck in efficiency and effect. To address these limitations, we propose a novel self-correcting adaptive planning paradigm for KG-augmented LLM named Plan-on-Graph (PoG), which first decomposes the question into several sub-objectives and then repeats the process of adaptively exploring reasoning paths, updating memory, and reflecting on the need to self-correct erroneous reasoning paths until arriving at the answer. Specifically, three important mechanisms of Guidance, Memory, and Reflection are designed to work together, to guarantee the adaptive breadth of self-correcting planning for graph reasoning. Finally, extensive experiments on three real-world datasets demonstrate the effectiveness and efficiency of PoG.

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

Recent model-based reference-free metrics for open-domain dialogue evaluation exhibit promising correlations with human judgment. However, they either perform turn-level evaluation or look at a single dialogue quality dimension. One would expect a good evaluation metric to assess multiple quality dimensions at the dialogue level. To this end, we are motivated to propose a multi-dimensional dialogue-level metric, which consists of three sub-metrics with each targeting a specific dimension. The sub-metrics are trained with novel self-supervised objectives and exhibit strong correlations with human judgment for their respective dimensions. Moreover, we explore two approaches to combine the sub-metrics: metric ensemble and multitask learning. Both approaches yield a holistic metric that significantly outperforms individual sub-metrics. Compared to the existing state-of-the-art metric, the combined metrics achieve around 16% relative improvement on average across three high-quality dialogue-level evaluation benchmarks.

Despite recent progress made by large language models in code generation, they still struggle with programs that meet complex requirements. Recent work utilizes plan-and-solve decomposition to decrease the complexity and leverage self-tests to refine the generated program. Yet, planning deep-inside requirements in advance can be challenging, and the tests need to be accurate to accomplish self-improvement. To this end, we propose FunCoder, a code generation framework incorporating the divide-and-conquer strategy with functional consensus. Specifically, FunCoder recursively branches off sub-functions as smaller goals during code generation, represented by a tree hierarchy. These sub-functions are then composited to attain more complex objectives. Additionally, we designate functions via a consensus formed by identifying similarities in program behavior, mitigating error propagation. FunCoder outperforms state-of-the-art methods by +9.8% on average in HumanEval, MBPP, xCodeEval and MATH with GPT-3.5 and GPT-4. Moreover, our method demonstrates superiority on smaller models: With FunCoder, StableCode-3b surpasses GPT-3.5 by +18.6% and achieves 97.7% of GPT-4's performance on HumanEval. Further analysis reveals that our proposed dynamic function decomposition is capable of handling complex requirements, and the functional consensus prevails over self-testing in correctness evaluation.

We introduce two complementary techniques for efficient adaptive optimization that reduce memory requirements while accelerating training of large-scale neural networks. The first technique, Subset-Norm adaptive step size, generalizes AdaGrad-Norm and AdaGrad(-Coordinate) by reducing the second moment term's memory footprint from O(d) to O(d) through step-size sharing, where d is the model size. For non-convex smooth objectives under coordinate-wise sub-gaussian gradient noise, we prove a noise-adapted high-probability convergence guarantee showing improved dimensional dependence over existing methods. Our second technique, Subspace-Momentum, reduces the momentum state's memory footprint by operating in a low-dimensional subspace while applying standard SGD in the orthogonal complement. We establish high-probability convergence rates under similar relaxed assumptions. Empirical evaluation on LLaMA models from 60M to 1B parameters demonstrates the effectiveness of our methods, where combining subset-norm with subspace-momentum achieves Adam's validation perplexity in approximately half the training tokens (6.8B vs 13.1B) while using only 20% of the Adam's optimizer-states memory footprint and requiring minimal additional hyperparameter tuning.

In this paper, we give an in-depth analysis on the mathematical problem formulations and the probabilistic optimization explorations for some of the key components in Transformer model [33] in the field of generative AI. We explore and discuss some potential further enhancement for current state of the art methods for some key underlying technologies of generative AI models from algorithmic and probabilistic optimization perspective. In particular, we present an optimal solution for sub-word encoding (SWE) based on similar initial settings as that of byte-pair encoding (BPE) algorithm in [9] with similar objectives as that of WordPiece approach in [28, 31] to maximize the likelihood of the training data. We also present cross entropy optimization method to optimize hyperparameters for word2vec model [17]. In addition, we propose a factored combination of rotary positional encoding (RoPE) [32] and attention with linear biases (ALiBi) [23] with a harmonic series. We also present a probabilistic FlashAttention [6, 7] (PrFlashAttention) method with a probability distribution over block distances in the matrix to decide which block is likely to participate in a given round of attention computation while maintaining the lower triangle shape of the tensor for autoregressive language models by re-shaping the tensors. Finally, we present staircase adaptive quantization (SAQ) of key-value (KV) cache for multi-query attention (MQA) based on the framework presented in [16] to have gradual quantization degradation while achieving reasonable model quality and cost savings.

In this paper, we introduce FROSTER, an effective framework for open-vocabulary action recognition. The CLIP model has achieved remarkable success in a range of image-based tasks, benefiting from its strong generalization capability stemming from pretaining on massive image-text pairs. However, applying CLIP directly to the open-vocabulary action recognition task is challenging due to the absence of temporal information in CLIP's pretraining. Further, fine-tuning CLIP on action recognition datasets may lead to overfitting and hinder its generalizability, resulting in unsatisfactory results when dealing with unseen actions. To address these issues, FROSTER employs a residual feature distillation approach to ensure that CLIP retains its generalization capability while effectively adapting to the action recognition task. Specifically, the residual feature distillation treats the frozen CLIP model as a teacher to maintain the generalizability exhibited by the original CLIP and supervises the feature learning for the extraction of video-specific features to bridge the gap between images and videos. Meanwhile, it uses a residual sub-network for feature distillation to reach a balance between the two distinct objectives of learning generalizable and video-specific features. We extensively evaluate FROSTER on open-vocabulary action recognition benchmarks under both base-to-novel and cross-dataset settings. FROSTER consistently achieves state-of-the-art performance on all datasets across the board. Project page: https://visual-ai.github.io/froster.

Foundation models pretrained on extensive datasets, such as GroundingDINO and LAE-DINO, have performed remarkably in the cross-domain few-shot object detection (CD-FSOD) task. Through rigorous few-shot training, we found that the integration of image-based data augmentation techniques and grid-based sub-domain search strategy significantly enhances the performance of these foundation models. Building upon GroundingDINO, we employed several widely used image augmentation methods and established optimization objectives to effectively navigate the expansive domain space in search of optimal sub-domains. This approach facilitates efficient few-shot object detection and introduces an approach to solving the CD-FSOD problem by efficiently searching for the optimal parameter configuration from the foundation model. Our findings substantially advance the practical deployment of vision-language models in data-scarce environments, offering critical insights into optimizing their cross-domain generalization capabilities without labor-intensive retraining. Code is available at https://github.com/jaychempan/ETS.

One-Shot Neural Architecture Search (NAS) algorithms often rely on training a hardware agnostic super-network for a domain specific task. Optimal sub-networks are then extracted from the trained super-network for different hardware platforms. However, training super-networks from scratch can be extremely time consuming and compute intensive especially for large models that rely on a two-stage training process of pre-training and fine-tuning. State of the art pre-trained models are available for a wide range of tasks, but their large sizes significantly limits their applicability on various hardware platforms. We propose InstaTune, a method that leverages off-the-shelf pre-trained weights for large models and generates a super-network during the fine-tuning stage. InstaTune has multiple benefits. Firstly, since the process happens during fine-tuning, it minimizes the overall time and compute resources required for NAS. Secondly, the sub-networks extracted are optimized for the target task, unlike prior work that optimizes on the pre-training objective. Finally, InstaTune is easy to "plug and play" in existing frameworks. By using multi-objective evolutionary search algorithms along with lightly trained predictors, we find Pareto-optimal sub-networks that outperform their respective baselines across different performance objectives such as accuracy and MACs. Specifically, we demonstrate that our approach performs well across both unimodal (ViT and BERT) and multi-modal (BEiT-3) transformer based architectures.

Sequence-to-sequence (seq2seq) learning is a popular fashion for large-scale pretraining language models. However, the prior seq2seq pretraining models generally focus on reconstructive objectives on the decoder side and neglect the effect of encoder-side supervision, which we argue may lead to sub-optimal performance. To verify our hypothesis, we first empirically study the functionalities of the encoder and decoder in seq2seq pretrained language models, and find that the encoder takes an important but under-exploitation role than the decoder regarding the downstream performance and neuron activation. Therefore, we propose an encoding-enhanced seq2seq pretraining strategy, namely E2S2, which improves the seq2seq models via integrating more efficient self-supervised information into the encoders. Specifically, E2S2 adopts two self-supervised objectives on the encoder side from two aspects: 1) locally denoising the corrupted sentence (denoising objective); and 2) globally learning better sentence representations (contrastive objective). With the help of both objectives, the encoder can effectively distinguish the noise tokens and capture high-level (i.e. syntactic and semantic) knowledge, thus strengthening the ability of seq2seq model to accurately achieve the conditional generation. On a large diversity of downstream natural language understanding and generation tasks, E2S2 dominantly improves the performance of its powerful backbone models, e.g. BART and T5. For example, upon BART backbone, we achieve +1.1% averaged gain on the general language understanding evaluation (GLUE) benchmark and +1.75% F_0.5 score improvement on CoNLL2014 dataset. We also provide in-depth analyses to show the improvement stems from better linguistic representation. We hope that our work will foster future self-supervision research on seq2seq language model pretraining.

Recent advances in agent systems have demonstrated remarkable capabilities in solving both general-purpose and highly complex tasks. However, most current models lack mechanisms for coordinating specialized agents and have limited ability to generalize to new or diverse domains. To this end, we introduce AgentOrchestra, a hierarchical multi-agent framework for general-purpose task solving that integrates high-level planning with modular agent collaboration. Drawing inspiration from a conductor orchestrating a symphony, and grounded in the principles of extensibility, multimodality, modularity, and coordination, it features a central planning agent that decomposes complex objectives and delegates sub-tasks to a team of specialized agents. Each sub-agent is equipped with general programming tools, as well as abilities to tackle a wide range of real-world specific tasks, including data analysis, file operations, web navigation, and interactive reasoning in dynamic multimodal environments. Notably, AgentOrchestra introduces an MCP Manager Agent that enables intelligent evolution through dynamic tool creation, retrieval, and reuse mechanisms, significantly enhancing the system's adaptability and scalability. AgentOrchestra supports flexible orchestration through explicit sub-goal formulation, inter-agent communication, and adaptive role allocation. We evaluate the framework on three widely used benchmarks for assessing LLM-based agent systems. Experimental results show that AgentOrchestra consistently outperforms flat-agent and monolithic baselines in terms of task success rate and adaptability. On the GAIA benchmark testing dataset, AgentOrchestra achieves an average score of 83.39\%, ranking among the top general-purpose agents. These results highlight the effectiveness of hierarchical organization and role specialization in building scalable and general-purpose LLM-based agent systems.

This technical brief introduces Deep Agent, an advanced autonomous AI system designed to manage complex multi-phase tasks through a novel hierarchical task management architecture. The system's foundation is built on our Hierarchical Task DAG (HTDAG) framework, which dynamically decomposes high-level objectives into manageable sub-tasks while rigorously maintaining dependencies and execution coherence. Deep Agent advances beyond traditional agent systems through three key innovations: First, it implements a recursive two-stage planner-executor architecture that enables continuous task refinement and adaptation as circumstances change. Second, it features an Autonomous API & Tool Creation (AATC) system that automatically generates reusable components from UI interactions, substantially reducing operational costs for similar tasks. Third, it incorporates Prompt Tweaking Engine and Autonomous Prompt Feedback Learning components that optimize Large Language Model prompts for specific scenarios, enhancing both inference accuracy and operational stability. These components are integrated to form a service infrastructure that manages user contexts, handles complex task dependencies, and orchestrates end-to-end agentic workflow execution. Through this sophisticated architecture, Deep Agent establishes a novel paradigm in self-governing AI systems, demonstrating robust capability to independently handle intricate, multi-step tasks while maintaining consistent efficiency and reliability through continuous self-optimization.

A common method to solve complex problems in software engineering, is to divide the problem into multiple sub-problems. Inspired by this, we propose a Modular Architecture for Software-engineering AI (MASAI) agents, where different LLM-powered sub-agents are instantiated with well-defined objectives and strategies tuned to achieve those objectives. Our modular architecture offers several advantages: (1) employing and tuning different problem-solving strategies across sub-agents, (2) enabling sub-agents to gather information from different sources scattered throughout a repository, and (3) avoiding unnecessarily long trajectories which inflate costs and add extraneous context. MASAI enabled us to achieve the highest performance (28.33% resolution rate) on the popular and highly challenging SWE-bench Lite dataset consisting of 300 GitHub issues from 11 Python repositories. We conduct a comprehensive evaluation of MASAI relative to other agentic methods and analyze the effects of our design decisions and their contribution to the success of MASAI.

Recent one-shot Neural Architecture Search algorithms rely on training a hardware-agnostic super-network tailored to a specific task and then extracting efficient sub-networks for different hardware platforms. Popular approaches separate the training of super-networks from the search for sub-networks, often employing predictors to alleviate the computational overhead associated with search. Additionally, certain methods also incorporate the quantization policy within the search space. However, while the quantization policy search for convolutional neural networks is well studied, the extension of these methods to transformers and especially foundation models remains under-explored. In this paper, we demonstrate that by using multi-objective search algorithms paired with lightly trained predictors, we can efficiently search for both the sub-network architecture and the corresponding quantization policy and outperform their respective baselines across different performance objectives such as accuracy, model size, and latency. Specifically, we demonstrate that our approach performs well across both uni-modal (ViT and BERT) and multi-modal (BEiT-3) transformer-based architectures as well as convolutional architectures (ResNet). For certain networks, we demonstrate an improvement of up to 4.80x and 3.44x for latency and model size respectively, without degradation in accuracy compared to the fully quantized INT8 baselines.

Large Language Models (LLMs) have recently demonstrated remarkable coding capabilities. However, assessing code generation based on well-formed properties and aligning it with developer preferences remains challenging. In this paper, we explore two key questions under the new challenge of code preference learning: (i) How do we train models to predict meaningful preferences for code? and (ii) How do human and LLM preferences align with verifiable code properties and developer code tastes? To this end, we propose CodeFavor, a framework for training pairwise code preference models from synthetic evolution data, including code commits and code critiques. To evaluate code preferences, we introduce CodePrefBench, a benchmark comprising 1364 rigorously curated code preference tasks to cover three verifiable properties-correctness, efficiency, and security-along with human preference. Our evaluation shows that CodeFavor holistically improves the accuracy of model-based code preferences by up to 28.8%. Meanwhile, CodeFavor models can match the performance of models with 6-9x more parameters while being 34x more cost-effective. We also rigorously validate the design choices in CodeFavor via a comprehensive set of controlled experiments. Furthermore, we discover the prohibitive costs and limitations of human-based code preference: despite spending 23.4 person-minutes on each task, 15.1-40.3% of tasks remain unsolved. Compared to model-based preference, human preference tends to be more accurate under the objective of code correctness, while being sub-optimal for non-functional objectives.

The advent of large language models (LLMs) has opened up new opportunities in the field of mobile task automation. Their superior language understanding and reasoning capabilities allow users to automate complex and repetitive tasks. However, due to the inherent unreliability and high operational cost of LLMs, their practical applicability is quite limited. To address these issues, this paper introduces MobileGPT, an innovative LLM-based mobile task automator equipped with a human-like app memory. MobileGPT emulates the cognitive process of humans interacting with a mobile app -- explore, select, derive, and recall. This approach allows for a more precise and efficient learning of a task's procedure by breaking it down into smaller, modular sub-tasks that can be re-used, re-arranged, and adapted for various objectives. We implement MobileGPT using online LLMs services (GPT-3.5 and GPT-4) and evaluate its performance on a dataset of 185 tasks across 18 mobile apps. The results indicate that MobileGPT can automate and learn new tasks with 82.7% accuracy, and is able to adapt them to different contexts with near perfect (98.75%) accuracy while reducing both latency and cost by 62.5% and 68.8%, respectively, compared to the GPT-4 powered baseline.

A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastically accelerate the computation of catalytic activity descriptors such as adsorption energies. Here we introduce AdsorbRL, a Deep Reinforcement Learning agent aiming to identify potential catalysts given a multi-objective binding energy target, trained using offline learning on the Open Catalyst 2020 and Materials Project data sets. We experiment with Deep Q-Network agents to traverse the space of all ~160,000 possible unary, binary and ternary compounds of 55 chemical elements, with very sparse rewards based on adsorption energy known for only between 2,000 and 3,000 catalysts per adsorbate. To constrain the actions space, we introduce Random Edge Traversal and train a single-objective DQN agent on the known states subgraph, which we find strengthens target binding energy by an average of 4.1 eV. We extend this approach to multi-objective, goal-conditioned learning, and train a DQN agent to identify materials with the highest (respectively lowest) adsorption energies for multiple simultaneous target adsorbates. We experiment with Objective Sub-Sampling, a novel training scheme aimed at encouraging exploration in the multi-objective setup, and demonstrate simultaneous adsorption energy improvement across all target adsorbates, by an average of 0.8 eV. Overall, our results suggest strong potential for Deep Reinforcement Learning applied to the inverse catalysts design problem.

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

Neural text generation models are typically trained by maximizing log-likelihood with the sequence cross entropy (CE) loss, which encourages an exact token-by-token match between a target sequence with a generated sequence. Such training objective is sub-optimal when the target sequence is not perfect, e.g., when the target sequence is corrupted with noises, or when only weak sequence supervision is available. To address the challenge, we propose a novel Edit-Invariant Sequence Loss (EISL), which computes the matching loss of a target n-gram with all n-grams in the generated sequence. EISL is designed to be robust to various noises and edits in the target sequences. Moreover, the EISL computation is essentially an approximate convolution operation with target n-grams as kernels, which is easy to implement and efficient to compute with existing libraries. To demonstrate the effectiveness of EISL, we conduct experiments on a wide range of tasks, including machine translation with noisy target sequences, unsupervised text style transfer with only weak training signals, and non-autoregressive generation with non-predefined generation order. Experimental results show our method significantly outperforms the common CE loss and other strong baselines on all the tasks. EISL has a simple API that can be used as a drop-in replacement of the CE loss: https://github.com/guangyliu/EISL.

The tool-using capability of large language models (LLMs) enables them to access up-to-date external information and handle complex tasks. Current approaches to enhancing this capability primarily rely on distilling advanced models by data synthesis. However, this method incurs significant costs associated with advanced model usage and often results in data compatibility issues, led by the high discrepancy in the knowledge scope between the advanced model and the target model. To address these challenges, we propose ToolACE-DEV, a self-improving framework for tool learning. First, we decompose the tool-learning objective into sub-tasks that enhance basic tool-making and tool-using abilities. Then, we introduce a self-evolving paradigm that allows lightweight models to self-improve, reducing reliance on advanced LLMs. Extensive experiments validate the effectiveness of our approach across models of varying scales and architectures.

Model inversion (MI) attacks aim to infer and reconstruct private training data by abusing access to a model. MI attacks have raised concerns about the leaking of sensitive information (e.g. private face images used in training a face recognition system). Recently, several algorithms for MI have been proposed to improve the attack performance. In this work, we revisit MI, study two fundamental issues pertaining to all state-of-the-art (SOTA) MI algorithms, and propose solutions to these issues which lead to a significant boost in attack performance for all SOTA MI. In particular, our contributions are two-fold: 1) We analyze the optimization objective of SOTA MI algorithms, argue that the objective is sub-optimal for achieving MI, and propose an improved optimization objective that boosts attack performance significantly. 2) We analyze "MI overfitting", show that it would prevent reconstructed images from learning semantics of training data, and propose a novel "model augmentation" idea to overcome this issue. Our proposed solutions are simple and improve all SOTA MI attack accuracy significantly. E.g., in the standard CelebA benchmark, our solutions improve accuracy by 11.8% and achieve for the first time over 90% attack accuracy. Our findings demonstrate that there is a clear risk of leaking sensitive information from deep learning models. We urge serious consideration to be given to the privacy implications. Our code, demo, and models are available at https://ngoc-nguyen-0.github.io/re-thinking_model_inversion_attacks/

The network pruning algorithm based on evolutionary multi-objective (EMO) can balance the pruning rate and performance of the network. However, its population-based nature often suffers from the complex pruning optimization space and the highly resource-consuming pruning structure verification process, which limits its application. To this end, this paper proposes an EMO joint pruning with multiple sub-networks (EMO-PMS) to reduce space complexity and resource consumption. First, a divide-and-conquer EMO network pruning framework is proposed, which decomposes the complex EMO pruning task on the whole network into easier sub-tasks on multiple sub-networks. On the one hand, this decomposition reduces the pruning optimization space and decreases the optimization difficulty; on the other hand, the smaller network structure converges faster, so the computational resource consumption of the proposed algorithm is lower. Secondly, a sub-network training method based on cross-network constraints is designed so that the sub-network can process the features generated by the previous one through feature constraints. This method allows sub-networks optimized independently to collaborate better and improves the overall performance of the pruned network. Finally, a multiple sub-networks joint pruning method based on EMO is proposed. For one thing, it can accurately measure the feature processing capability of the sub-networks with the pre-trained feature selector. For another, it can combine multi-objective pruning results on multiple sub-networks through global performance impairment ranking to design a joint pruning scheme. The proposed algorithm is validated on three datasets with different challenging. Compared with fifteen advanced pruning algorithms, the experiment results exhibit the effectiveness and efficiency of the proposed algorithm.

Quantized neural networks typically require smaller memory footprints and lower computation complexity, which is crucial for efficient deployment. However, quantization inevitably leads to a distribution divergence from the original network, which generally degrades the performance. To tackle this issue, massive efforts have been made, but most existing approaches lack statistical considerations and depend on several manual configurations. In this paper, we present an adaptive-mapping quantization method to learn an optimal latent sub-distribution that is inherent within models and smoothly approximated with a concrete Gaussian Mixture (GM). In particular, the network weights are projected in compliance with the GM-approximated sub-distribution. This sub-distribution evolves along with the weight update in a co-tuning schema guided by the direct task-objective optimization. Sufficient experiments on image classification and object detection over various modern architectures demonstrate the effectiveness, generalization property, and transferability of the proposed method. Besides, an efficient deployment flow for the mobile CPU is developed, achieving up to 7.46times inference acceleration on an octa-core ARM CPU. Our codes have been publicly released at https://github.com/RunpeiDong/DGMS.

The upscaling of Large Language Models (LLMs) has yielded impressive advances in natural language processing, yet it also poses significant deployment challenges. Weight quantization has emerged as a widely embraced solution to reduce memory and computational demands. This paper introduces BitDistiller, a framework that synergizes Quantization-Aware Training (QAT) with Knowledge Distillation (KD) to boost the performance of LLMs at ultra-low precisions (sub-4-bit). Specifically, BitDistiller first incorporates a tailored asymmetric quantization and clipping technique to maximally preserve the fidelity of quantized weights, and then proposes a novel Confidence-Aware Kullback-Leibler Divergence (CAKLD) objective, which is employed in a self-distillation manner to enable faster convergence and superior model performance. Empirical evaluations demonstrate that BitDistiller significantly surpasses existing methods in both 3-bit and 2-bit configurations on general language understanding and complex reasoning benchmarks. Notably, BitDistiller is shown to be more cost-effective, demanding fewer data and training resources. The code is available at https://github.com/DD-DuDa/BitDistiller.

A major challenge in Reinforcement Learning (RL) is the difficulty of learning an optimal policy from sparse rewards. Prior works enhance online RL with conventional Imitation Learning (IL) via a handcrafted auxiliary objective, at the cost of restricting the RL policy to be sub-optimal when the offline data is generated by a non-expert policy. Instead, to better leverage valuable information in offline data, we develop Generalized Imitation Learning from Demonstration (GILD), which meta-learns an objective that distills knowledge from offline data and instills intrinsic motivation towards the optimal policy. Distinct from prior works that are exclusive to a specific RL algorithm, GILD is a flexible module intended for diverse vanilla off-policy RL algorithms. In addition, GILD introduces no domain-specific hyperparameter and minimal increase in computational cost. In four challenging MuJoCo tasks with sparse rewards, we show that three RL algorithms enhanced with GILD significantly outperform state-of-the-art methods.

We introduce PaperBench, a benchmark evaluating the ability of AI agents to replicate state-of-the-art AI research. Agents must replicate 20 ICML 2024 Spotlight and Oral papers from scratch, including understanding paper contributions, developing a codebase, and successfully executing experiments. For objective evaluation, we develop rubrics that hierarchically decompose each replication task into smaller sub-tasks with clear grading criteria. In total, PaperBench contains 8,316 individually gradable tasks. Rubrics are co-developed with the author(s) of each ICML paper for accuracy and realism. To enable scalable evaluation, we also develop an LLM-based judge to automatically grade replication attempts against rubrics, and assess our judge's performance by creating a separate benchmark for judges. We evaluate several frontier models on PaperBench, finding that the best-performing tested agent, Claude 3.5 Sonnet (New) with open-source scaffolding, achieves an average replication score of 21.0\%. Finally, we recruit top ML PhDs to attempt a subset of PaperBench, finding that models do not yet outperform the human baseline. We https://github.com/openai/preparedness{open-source our code} to facilitate future research in understanding the AI engineering capabilities of AI agents.

Recent advances in Neural Architecture Search (NAS) such as one-shot NAS offer the ability to extract specialized hardware-aware sub-network configurations from a task-specific super-network. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still under-explored. Popular methods decouple the super-network training from the sub-network search and use performance predictors to reduce the computational burden of searching on different hardware platforms. We propose a flexible search framework that automatically and efficiently finds optimal sub-networks that are optimized for different performance metrics and hardware configurations. Specifically, we show how evolutionary algorithms can be paired with lightly trained objective predictors in an iterative cycle to accelerate architecture search in a multi-objective setting for various modalities including machine translation and image classification.

Recent advancements in Large Language Models (LLMs) have significantly enhanced their capacity to process long contexts. However, effectively utilizing this long context remains a challenge due to the issue of distraction, where irrelevant information dominates lengthy contexts, causing LLMs to lose focus on the most relevant segments. To address this, we propose a novel training method that enhances LLMs' ability to discern relevant information through a unique combination of retrieval-based data augmentation and contrastive learning. Specifically, during fine-tuning with long contexts, we employ a retriever to extract the most relevant segments, serving as augmented inputs. We then introduce an auxiliary contrastive learning objective to explicitly ensure that outputs from the original context and the retrieved sub-context are closely aligned. Extensive experiments on long single-document and multi-document QA benchmarks demonstrate the effectiveness of our proposed method.

Data mixing augmentation has been widely applied to improve the generalization ability of deep neural networks. Recently, offline data mixing augmentation, e.g. handcrafted and saliency information-based mixup, has been gradually replaced by automatic mixing approaches. Through minimizing two sub-tasks, namely, mixed sample generation and mixup classification in an end-to-end way, AutoMix significantly improves accuracy on image classification tasks. However, as the optimization objective is consistent for the two sub-tasks, this approach is prone to generating consistent instead of diverse mixed samples, which results in overfitting for target task training. In this paper, we propose AdAutomixup, an adversarial automatic mixup augmentation approach that generates challenging samples to train a robust classifier for image classification, by alternatively optimizing the classifier and the mixup sample generator. AdAutomixup comprises two modules, a mixed example generator, and a target classifier. The mixed sample generator aims to produce hard mixed examples to challenge the target classifier, while the target classifier's aim is to learn robust features from hard mixed examples to improve generalization. To prevent the collapse of the inherent meanings of images, we further introduce an exponential moving average (EMA) teacher and cosine similarity to train AdAutomixup in an end-to-end way. Extensive experiments on seven image benchmarks consistently prove that our approach outperforms the state of the art in various classification scenarios. The source code is available at https://github.com/JinXins/Adversarial-AutoMixup.

Generalized category discovery (GCD) is a pragmatic but underexplored problem, which requires models to automatically cluster and discover novel categories by leveraging the labeled samples from old classes. The challenge is that unlabeled data contain both old and new classes. Early works leveraging pseudo-labeling with parametric classifiers handle old and new classes separately, which brings about imbalanced accuracy between them. Recent methods employing contrastive learning neglect potential positives and are decoupled from the clustering objective, leading to biased representations and sub-optimal results. To address these issues, we introduce a unified and unbiased prototype learning framework, namely ProtoGCD, wherein old and new classes are modeled with joint prototypes and unified learning objectives, {enabling unified modeling between old and new classes}. Specifically, we propose a dual-level adaptive pseudo-labeling mechanism to mitigate confirmation bias, together with two regularization terms to collectively help learn more suitable representations for GCD. Moreover, for practical considerations, we devise a criterion to estimate the number of new classes. Furthermore, we extend ProtoGCD to detect unseen outliers, achieving task-level unification. Comprehensive experiments show that ProtoGCD achieves state-of-the-art performance on both generic and fine-grained datasets. The code is available at https://github.com/mashijie1028/ProtoGCD.

We develop an analytical framework to characterize the set of optimal ReLU neural networks by reformulating the non-convex training problem as a convex program. We show that the global optima of the convex parameterization are given by a polyhedral set and then extend this characterization to the optimal set of the non-convex training objective. Since all stationary points of the ReLU training problem can be represented as optima of sub-sampled convex programs, our work provides a general expression for all critical points of the non-convex objective. We then leverage our results to provide an optimal pruning algorithm for computing minimal networks, establish conditions for the regularization path of ReLU networks to be continuous, and develop sensitivity results for minimal ReLU networks.

Federated optimization studies the problem of collaborative function optimization among multiple clients (e.g. mobile devices or organizations) under the coordination of a central server. Since the data is collected separately by each client and always remains decentralized, federated optimization preserves data privacy and allows for large-scale computing, which makes it a promising decentralized machine learning paradigm. Though it is often deployed for tasks that are online in nature, e.g., next-word prediction on keyboard apps, most works formulate it as an offline problem. The few exceptions that consider federated bandit optimization are limited to very simplistic function classes, e.g., linear, generalized linear, or non-parametric function class with bounded RKHS norm, which severely hinders its practical usage. In this paper, we propose a new algorithm, named Fed-GO-UCB, for federated bandit optimization with generic non-linear objective function. Under some mild conditions, we rigorously prove that Fed-GO-UCB is able to achieve sub-linear rate for both cumulative regret and communication cost. At the heart of our theoretical analysis are distributed regression oracle and individual confidence set construction, which can be of independent interests. Empirical evaluations also demonstrate the effectiveness of the proposed algorithm.

Anxiety is a common mental health condition characterised by excessive worry, fear and apprehension about everyday situations. Even with significant progress over the past few years, predicting anxiety from electroencephalographic (EEG) signals, specifically using error-related negativity (ERN), still remains challenging. Following the PRISMA protocol, this paper systematically reviews 54 research papers on using EEG and ERN markers for anxiety detection published in the last 10 years (2013 -- 2023). Our analysis highlights the wide usage of traditional machine learning, such as support vector machines and random forests, as well as deep learning models, such as convolutional neural networks and recurrent neural networks across different data types. Our analysis reveals that the development of a robust and generic anxiety prediction method still needs to address real-world challenges, such as task-specific setup, feature selection and computational modelling. We conclude this review by offering potential future direction for non-invasive, objective anxiety diagnostics, deployed across diverse populations and anxiety sub-types.

Pre-trained language models (PLM), for example BERT or RoBERTa, mark the state-of-the-art for natural language understanding task when fine-tuned on labeled data. However, their large size poses challenges in deploying them for inference in real-world applications, due to significant GPU memory requirements and high inference latency. This paper explores neural architecture search (NAS) for structural pruning to find sub-parts of the fine-tuned network that optimally trade-off efficiency, for example in terms of model size or latency, and generalization performance. We also show how we can utilize more recently developed two-stage weight-sharing NAS approaches in this setting to accelerate the search process. Unlike traditional pruning methods with fixed thresholds, we propose to adopt a multi-objective approach that identifies the Pareto optimal set of sub-networks, allowing for a more flexible and automated compression process.

Agents centered around Large Language Models (LLMs) are now capable of automating mobile device operations for users. After fine-tuning to learn a user's mobile operations, these agents can adhere to high-level user instructions online. They execute tasks such as goal decomposition, sequencing of sub-goals, and interactive environmental exploration, until the final objective is achieved. However, privacy concerns related to personalized user data arise during mobile operations, requiring user confirmation. Moreover, users' real-world operations are exploratory, with action data being complex and redundant, posing challenges for agent learning. To address these issues, in our practical application, we have designed interactive tasks between agents and humans to identify sensitive information and align with personalized user needs. Additionally, we integrated Standard Operating Procedure (SOP) information within the model's in-context learning to enhance the agent's comprehension of complex task execution. Our approach is evaluated on the new device control benchmark AitW, which encompasses 30K unique instructions across multi-step tasks, including application operation, web searching, and web shopping. Experimental results show that the SOP-based agent achieves state-of-the-art performance in LLMs without incurring additional inference costs, boasting an overall action success rate of 66.92\%. The code and data examples are available at https://github.com/alipay/mobile-agent.

The standard practice for developing contemporary MLLMs is to feed features from vision encoder(s) into the LLM and train with natural language supervision. In this work, we posit an overlooked opportunity to optimize the intermediate LLM representations through a vision perspective (objective), i.e., solely natural language supervision is sub-optimal for the MLLM's visual understanding ability. To that end, we propose OLA-VLM, the first approach distilling knowledge into the LLM's hidden representations from a set of target visual representations. Firstly, we formulate the objective during the pretraining stage in MLLMs as a coupled optimization of predictive visual embedding and next text-token prediction. Secondly, we investigate MLLMs trained solely with natural language supervision and identify a positive correlation between the quality of visual representations within these models and their downstream performance. Moreover, upon probing our OLA-VLM, we observe improved representation quality owing to the embedding optimization. Thirdly, we demonstrate that our OLA-VLM outperforms the single and multi-encoder baselines, proving our approach's superiority over explicitly feeding the corresponding features to the LLM. Particularly, OLA-VLM boosts performance by an average margin of up to 2.5% on various benchmarks, with a notable improvement of 8.7% on the Depth task in CV-Bench. Our code is open-sourced at https://github.com/SHI-Labs/OLA-VLM .

Knowledge distillation (KD) methods compress large models into smaller students with manually-designed student architectures given pre-specified computational cost. This requires several trials to find a viable student, and further repeating the process for each student or computational budget change. We use Neural Architecture Search (NAS) to automatically distill several compressed students with variable cost from a large model. Current works train a single SuperLM consisting of millions of subnetworks with weight-sharing, resulting in interference between subnetworks of different sizes. Our framework AutoDistil addresses above challenges with the following steps: (a) Incorporates inductive bias and heuristics to partition Transformer search space into K compact sub-spaces (K=3 for typical student sizes of base, small and tiny); (b) Trains one SuperLM for each sub-space using task-agnostic objective (e.g., self-attention distillation) with weight-sharing of students; (c) Lightweight search for the optimal student without re-training. Fully task-agnostic training and search allow students to be reused for fine-tuning on any downstream task. Experiments on GLUE benchmark against state-of-the-art KD and NAS methods demonstrate AutoDistil to outperform leading compression techniques with upto 2.7x reduction in computational cost and negligible loss in task performance.