97 accepted papers
Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential
Large language model (LLM) agents show promise in automating machine learning (ML) engineering. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where human researchers often gain insights and contribute by sha…
Understanding whether large language models (LLMs) and the human brain converge on similar computational principles remains a fundamental and important question in cognitive neuroscience and AI. Do the brain-like patterns observed in LLMs emerge simply from scaling, or do they reflect deeper alignme
In autonomous driving, vision-centric 3D object detection recognizes and localizes 3D objects from RGB images. However, due to high annotation costs and diverse outdoor scenes, training data often fails to cover all possible test scenarios, known as the out-of-distribution (OOD) issue. Training-free
This paper studies how to achieve accurate modeling and effective control in stochastic nonlinear dynamics with multiple interacting objects. However, non-uniform interactions and random topologies make this task challenging. We address these challenges by proposing Graph Controllable Embeddings (GC…
Large-scale Video Foundation Models (VFMs) have significantly advanced various video-related tasks, either through task-specific models or Multi-modal Large Language Models (MLLMs). However, the open accessibility of VFMs also introduces critical security risks, as adversaries can exploit full knowl
Machine learning (ML) has shown promise for tackling combinatorial optimization (CO), but much of the reported progress relies on small-scale, synthetic benchmarks that fail to capture real-world structure and scale. A core limitation is that ML methods are typically trained and evaluated on synthet…
Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over static trajectories or reinforcement learning (RL) on narrow task…
Diffusion policy sampling enables reinforcement learning (RL) to represent multimodal action distributions beyond suboptimal unimodal Gaussian policies. However, existing diffusion-based RL methods primarily focus on offline setting for reward maximization, with limited consideration of safety in on…
The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. W…
Cross-Domain Few-Shot Object Detection (CD-FSOD) is an extremely challenging task due to the inherent data scarcity and substantial domain shift between the source and target domains. Existing methods often suffer from overfitting and noisy feature representations, which hinder the construction of d
Recovering multiple physical parameters from high-dimensional optical measurements remains challenging in computational optics. We present *MMPD-Bench*, a pioneering benchmark that reframes multi-polarimetric modalities decomposition from Mueller matrix observations as a *modality fission* problem u…
Control variates are variance reduction techniques for Monte Carlo estimators. They play a critical role in improving Monte Carlo estimators in scientific and machine learning applications that involve computationally expensive integrals. We introduce \emph{multilevel control functionals} (MLCFs), a…
Test-time scaling paradigms have significantly advanced the capabilities of large language models (LLMs) on complex tasks. Despite their empirical success, theoretical understanding of the sample efficiency of various test-time strategies---such as self-consistency, best-of-$n$, and self-correction-…
Large language model (LLM) agents are fundamentally constrained by context length on long-horizon tasks. Existing agent frameworks usually rely on manually defined context engineering pipelines, such as multi-agent or post-hoc summary. We introduce Context Folding, a framework that empowers agents t…
Accurate prediction of protein-ligand bioactivity is a cornerstone of modern drug discovery, yet current deep learning methods often struggle with out-of-domain (OOD) generalization. The existing methods rely on access to source data, making them impractical in scenarios where data cannot be accesse…
Recent Multimodal Large Language Models (MLLMs) have advanced cross-modal reasoning by extending Chain-of-Thought (CoT) prompting to visual tasks. However, existing methods still rely heavily on explicit textual reasoning steps, leading to information loss, unstable perception–reasoning interaction,…
Neural solvers have recently emerged as powerful tools for combinatorial optimization (CO). Among them, diffusion models have shown strong promise due to their ability to capture highly multimodal solution distributions in CO through iterative generative processes. However, training diffusion models…
Existing neural combinatorial optimization (CO) solvers often rely heavily on expensive labeled data and additional post-processing to produce feasible solutions. Research into mixed integer linear programs (MILPs) is particularly limited due to the lack of effective heuristics for feasibility and t…
Vision-Language-Action (VLA) models are vulnerable to adversarial attacks, yet universal and transferable attacks remain underexplored, as most existing patches overfit to a single model and fail in black-box settings. To address this gap, we present a systematic study of universal, transferable adv
Generative retrieval (GR) reformulates information retrieval (IR) by framing it as the generation of document identifiers (docids), thereby enabling an end-to-end optimization and seamless integration with generative language models (LMs). Despite notable progress under supervised training, GR still…
Current long chain-of-thought (long-CoT) models excel at mathematical reasoning but rely on slow and error-prone natural language traces. Tool-augmented agents address arithmetic via code execution, but often falter on complex logical tasks. We introduce a fine-tuning framework, **DualDistill**, tha
Generating long-term trajectories of dissipative chaotic systems autoregressively is a highly challenging task. The inherent positive Lyapunov exponents amplify prediction errors over time. Many chaotic systems possess a crucial property — ergodicity on their attractors, which makes long-term predic…
Reinforcement learning (RL) typically presupposes instantaneous agent-environment interactions, but in real-world scenarios such as robotic control, overlooking observation delays can significantly impair performance. While existing studies consider stationary, known delays, real-world applications
Preference modeling techniques, such as direct preference optimization (DPO), has shown effective in enhancing the generalization abilities of large language model (LLM). However, in tasks involving video instruction-following, providing informative feedback, especially for open-ended conversations,…
Predicting the bioactivity of candidate ligands remains a central challenge in drug discovery. Ligands and endogenous substrates often compete for the same binding sites on target proteins, and the extent to which a ligand can modulate protein function depends not only on its binding but also on how…
Training data attribution (TDA) methods aim to measure how training data impacts a model's predictions. While gradient-based attribution methods, such as influence functions, offer theoretical grounding, their computational costs make them impractical for large-scale applications. Representation-b…
As the diversity of users increases, the capability of providing personalized responses by large language models (LLMs) has become increasingly important. Existing approaches have only limited successes in LLM personalization, due to the absence of personalized learning or the reliance on shared per…
Chain-of-thought (CoT) reasoning in vision language models (VLMs) is crucial for improving interpretability and trustworthiness. However, current training recipes often relying on datasets dominated by short annotations with minimal rationales. In this work, we show that training VLM on short answer…
Retrieval-augmented generation (RAG) is widely utilized to incorporate external knowledge into large language models, thereby enhancing factuality and reducing hallucinations in question-answering (QA) tasks. A standard RAG pipeline consists of several components, such as query rewriting, document r…
While the scaling laws of large language models (LLMs) training have been extensively studied, optimal inference configurations of LLMs remain underexplored. We study inference scaling laws (aka test-time scaling laws) and compute-optimal inference, focusing on the trade-offs between model sizes an…
In-context learning with large language models (LLMs) delivers strong few-shot performance by choosing few-shot demonstrations from the entire training dataset. However, previous few-shot in-context learning methods, which calculate similarity scores for choosing demonstrations, incur high computati…
Traditional language model-based theorem proving assumes that by training on a sufficient amount of formal proof data, a model will learn to prove theorems. Our key observation is that a wealth of informal information that is not present in formal proofs can be useful for learning to prove theorems.…
Learning long-term behaviors in chaotic dynamical systems, such as turbulent flows and climate modelling, is challenging due to their inherent instability and unpredictability. These systems exhibit positive Lyapunov exponents, which significantly hinder accurate long-term forecasting. As a result,…
Fourier Neural Operators (FNOs) offer a principled approach for solving complex partial differential equations (PDEs). However, scaling them to handle more complex PDEs requires increasing the number of Fourier modes, which significantly expands the number of model parameters and makes hyperparamete…
Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performan…
This work proposes a simple yet effective sampling framework for combinatorial optimization (CO). Our method builds on discrete Langevin dynamics (LD), an efficient gradient-guided generative paradigm. However, we observe that directly applying LD often leads to limited exploration. To overcome this…
Mixed Integer Linear Program (MILP) solvers are mostly built upon a Branch-and-Bound (B&B) algorithm, where the efficiency of traditional solvers heavily depends on hand-crafted heuristics for branching. The past few years have witnessed the increasing popularity of data-driven approaches to automat…
Diffusion models have made significant strides in recent years, exhibiting strong generalization capabilities in planning and control tasks. However, most diffusion-based policies remain focused on reward maximization or cost minimization, often overlooking critical aspects of safety and stability.…
Standard reinforcement learning from human feedback (RLHF) approaches relying on parametric models like the Bradley-Terry model fall short in capturing the intransitivity and irrationality in human preferences. Recent advancements suggest that directly working with preference probabilities can yield…
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, req…
Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. As a highly efficient technique for steering generative models toward flexible o…
Variational data assimilation estimates the dynamical system states by minimizing a cost function that fits the numerical models with the observational data. Although four-dimensional variational assimilation (4D-Var) is widely used, it faces high computational costs in complex nonlinear systems and…
Extracting lane topology from perspective views (PV) is crucial for planning and control in autonomous driving. This approach extracts potential drivable trajectories for self-driving vehicles without relying on high-definition (HD) maps. However, the unordered nature and weak long-range perception…
Large Multimodal Models (LMM) are built across modalities and the misalignment between two modalities can result in “hallucination”, generating textual outputs that are not grounded by the multimodal information in context. To address the multimodal misalignment issue, we adapt the Reinforcement Lea…
Large language models (LLMs) are now available from cloud API providers in various sizes and configurations. While this diversity offers a broad spectrum of choices, effectively leveraging the options to optimize computational cost and performance remains challenging. In this work, we present AutoMi…
Current AI alignment methodologies rely on human-provided demonstrations or judgments, and the learned capabilities of AI systems would be upper-bounded by human capabilities as a result. This raises a challenging research question: How can we keep improving the systems when their capabilities have…
Preventing the performance decay of Transformers on inputs longer than those used for training has been an important challenge in extending the context length of these models. Though the Transformer architecture has fundamentally no limits on the input sequence lengths it can process, the choice of…
In-context learning (ICL, also known as few-shot prompting) has been the standard method of adapting LLMs to downstream tasks, by learning from a few input-output examples. Nonetheless, all ICL-based approaches only learn from correct input-output pairs. In this paper, we revisit this paradigm, by l…
With the decline of Moore's law, optimizing program performance has become a major focus of software research. However, high-level optimizations such as API and algorithm changes remain elusive due to the difficulty of understanding the semantics of code. Simultaneously, pretrained large language mo…
We propose a new class of linear Transformers called FourierLearner-Transformers (FLTs), which incorporate a wide range of relative positional encoding mechanisms (RPEs). These include regular RPE techniques applied for sequential data, as well as novel RPEs operating on geometric data embedded in h…
An open challenge in recent machine learning is about how to improve the reasoning capability of large language models (LLMs) in a black-box setting, i.e., without access to detailed information such as output token probabilities. Existing approaches either rely on accessibility (which is often unre…
Supervised Fine-Tuning (SFT) on response demonstrations combined with Reinforcement Learning from Human Feedback (RLHF) constitutes a powerful paradigm for aligning LLM-based AI agents. However, a significant limitation of such an approach is its dependency on high-quality human annotations, making…
Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in…
Despite the remarkable ability of large language models (LMs) to comprehend and generate language, they have a tendency to hallucinate and create factually inaccurate output. Augmenting LMs by retrieving information from external knowledge resources is one promising solution. Most existing retrieval…
How much success in Knowledge Graph Completion (KGC) would translate into the performance enhancement in downstream tasks is an important question that has not been studied in depth. In this paper, we introduce a novel benchmark, namely CompleQA, to comprehensively assess the influence of representa…
Neural network-based Combinatorial Optimization (CO) methods have shown promising results in solving various NP-complete (NPC) problems without relying on hand-crafted domain knowledge. This paper broadens the current scope of neural solvers for NPC problems by introducing a new graph-based diffusio…
Acquiring dynamics is critical for robot learning and is fundamental to planning and control. This paper concerns two fundamental questions: How can we learn a model that covers massive, diverse robot dynamics? Can we construct a model that lifts the data-collection pain and domain expertise require…
A popular approach for improving the correctness of output from large language models (LLMs) is Self-Consistency - poll the LLM multiple times and output the most frequent solution. Existing Self-Consistency techniques always generate a constant number of samples per question, where a better approac…
Large language models (LLMs) have demonstrated an impressive ability to perform arithmetic and symbolic reasoning tasks, when provided with a few examples at test time ("few-shot prompting"). Much of this success can be attributed to prompting methods such as "chain-of-thought", which employ LLMs fo…
We present PESCO, a novel contrastive learning framework that substantially improves the performance of zero-shot text classification. We formulate text classification as a neural text retrieval problem where each document is treated as a query, and the system learns the mapping from each query to t…
Recent AI-assistant agents, such as ChatGPT, predominantly rely on supervised fine-tuning (SFT) with human annotations and reinforcement learning from human feedback (RLHF) to align the output of large language models (LLMs) with human intentions, ensuring they are helpful, ethical, and reliable. Ho…
We propose a new paradigm to help Large Language Models (LLMs) generate more accurate factual knowledge without retrieving from an external corpus, called RECITation-augmented gEneration (RECITE). Different from retrieval-augmented language models that retrieve relevant documents before generating t…
Like humans, large language models (LLMs) do not always generate the best output on their first try. Motivated by how humans refine their written text, we introduce Self-Refine, an approach for improving initial outputs from LLMs through iterative feedback and refinement. The main idea is to generat…
Conditional set generation learns a mapping from an input sequence of tokens to a set. Several NLP tasks, such as entity typing and dialogue emotion tagging, are instances of set generation. Seq2Seq models are a popular choice to model set generation but they treat a set as a sequence and do not ful…
Recently, deep reinforcement learning (DRL) models have shown promising results in solving NP-hard Combinatorial Optimization (CO) problems. However, most DRL solvers can only scale to a few hundreds of nodes for combinatorial optimization problems on graphs, such as the Traveling Salesman Problem (…
Intense spatiotemporal coupling states frequently appear in robotic tasks, and this coupling enriches the information encapsulated in each state. Taking advantage of historical observations can provide more information about the robot, especially for partially observable Markov decision processes. H
Knowledge graphs (KGs) contain rich information about world knowledge, entities, and relations. Thus, they can be great supplements to existing pre-trained language models. However, it remains a challenge to efficiently integrate information from KG into language modeling. And the understanding of a…
Current Open-Domain Question Answering (ODQA) models typically include a retrieving module and a reading module, where the retriever selects potentially relevant passages from open-source documents for a given question, and the reader produces an answer based on the retrieved passages. The recently…
We address the general task of structured commonsense reasoning: given a natural language input, the goal is to generate a graph such as an event or a reasoning-graph.To employ large language models (LMs) for this task, existing approaches ‘serialize’ the output graph as a flat list of nodes and edg…
Large language models (LMs), while powerful, are not immune to mistakes, but can be difficult to retrain. Our goal is for an LM to continue to improve after deployment, without retraining, using feedback from the user. Our approach pairs an LM with (i) a growing memory of cases where the user identi…
Large LMs such as GPT-3 are powerful, but can commit mistakes that are obvious to humans. For example, GPT-3 would mistakenly interpret “What word is similar to good?” to mean a homophone, while the user intended a synonym. Our goal is to effectively correct such errors via user interactions with th…
Transformer has become ubiquitous in sequence modeling tasks. As a key component of Transformer, self-attention does not scale to long sequences due to its quadratic time and space complexity with respect to the sequence length. To tackle this problem, recent work developed dynamic attention sparsif…
Back-translation is an effective strategy to improve the performance of Neural Machine Translation~(NMT) by generating pseudo-parallel data. However, several recent works have found that better translation quality in the pseudo-parallel data does not necessarily lead to a better final translation mo…
This paper presents the first study on using large-scale pre-trained language models for automated generation of an event-level temporal graph for a document. Despite the huge success of neural pre-training methods in NLP tasks, its potential for temporal reasoning over event graphs has not been suf…
DETR is a recently proposed Transformer-based method which views object detection as a set prediction problem and achieves state-of-the-art performance but demands extra-long training time to converge. In this paper, we investigate the causes of the optimization difficulty in the training of DETR. O…
Defeasible reasoning is the mode of reasoning where conclusions can be overturned by taking into account new evidence. Existing cognitive science literature on defeasible reasoning suggests that a person forms a “mental model” of the problem scenario before answering questions. Our research goal ask…
Autoregressive (AR) models have been the dominating approach to conditional sequence generation, but are suffering from the issue of high inference latency. Non-autoregressive (NAR) models have been recently proposed to reduce the latency by generating all output tokens in parallel but could only ac…
Learning multilingual representations of text has proven a successful method for many cross-lingual transfer learning tasks. There are two main paradigms for learning such representations: (1) alignment, which maps different independently trained monolingual representations into a shared space, and…
With the success of language pretraining, it is highly desirable to develop more efficient architectures of good scalability that can exploit the abundant unlabeled data at a lower cost. To improve the efficiency, we examine the much-overlooked redundancy in maintaining a full-length token-level pre…
We consider the large-scale query-document retrieval problem: given a query (e.g., a question), return the set of relevant documents (e.g., paragraphs containing the answer) from a large document corpus. This problem is often solved in two steps. The retrieval phase first reduces the solution space,…
We introduce a new task, Video-and-Language Inference, for joint multimodal understanding of video and text. Given a video clip with aligned subtitles as premise, paired with a natural language hypothesis based on the video content, a model needs to infer whether the hypothesis is entailed or contra…
This paper addresses the scalability challenge of architecture search by formulating the task in a differentiable manner. Unlike conventional approaches of applying evolution or reinforcement learning over a discrete and non-differentiable search space, our method is based on the continuous relaxati…
Kernels are powerful and versatile tools in machine learning and statistics. Although the notion of universal kernels and characteristic kernels has been studied, kernel selection still greatly influences the empirical performance. While learning the kernel in a data driven way has been investigated…
Detecting the emergence of abrupt property changes in time series is a challenging problem. Kernel two-sample test has been studied for this task which makes fewer assumptions on the distributions than traditional parametric approaches. However, selecting kernels is non-trivial in practice. Although…
With latent variables, stochastic recurrent models have achieved state-of-the-art performance in modeling sound-wave sequence. However, opposite results are also observed in other domains, where standard recurrent networks often outperform stochastic models. To better understand this discrepancy, we…
With the capability of modeling bidirectional contexts, denoising autoencoding based pretraining like BERT achieves better performance than pretraining approaches based on autoregressive language modeling. However, relying on corrupting the input with masks, BERT neglects dependency between the mask…
Motion planning algorithms attempt to find a good compromise between planning time and quality of solution. Due to their heuristic nature, they are typically configured with several parameters. In this paper we demonstrate that, in many scenarios, the widely used default parameter values are not ide…
Capturing a moving object with large momentum by a dual-arm robot is especially challenging because of the requirement of dual-arm coordinated motion planning for tracking the moving object, and the operational force control for contact and momentum transfer. In this paper, we present a dual-arm coo…
In this letter, we first theoretically prove the conditions and boundaries of resolution completeness for deterministic roadmap methods with a discretized workspace. A novel variant of such methods, the hierarchical dynamic roadmap (HDRM), is then proposed for solving complex planning problems. A un
Large-scale multi-relational embedding refers to the task of learning the latent representations for entities and relations in large knowledge graphs. An effective and scalable solution for this problem is crucial for the true success of knowledge-based inference in a broad range of applications. Th…
A key prerequisite for planning manipulation together with locomotion of humanoids in complex environments is to find a valid end-pose with a feasible stance location and a full-body configuration that is balanced and collision-free. Prior work based on the inverse dynamic reachability map assumed t
Generative moment matching network (GMMN) is a deep generative model that differs from Generative Adversarial Network (GAN) by replacing the discriminator in GAN with a two-sample test based on kernel maximum mean discrepancy (MMD). Although some theoretical guarantees of MMD have been studied, the…
This paper addresses the challenge of jointly learning both the per-task model parameters and the inter-task relationships in a multi-task online learning setting. The proposed algorithm features probabilistic interpretation, efficient updating rules and flexible modulation on whether learners focus…
Cross-graph Relational Learning (CGRL) refers to the problem of predicting the strengths or labels of multi-relational tuples of heterogeneous object types, through the joint inference over multiple graphs which specify the internal connections among each type of objects. CGRL is an open challenge i…
This paper proposes a novel nonparametric framework for semi-supervised learning and for optimizing the Laplacian spectrum of the data manifold simultaneously. Our formulation leads to a convex optimization problem that can be efficiently solved via the bundle method, and can be interpreted as to as…
This paper addresses the problem of predicting the missing edges of a bipartite graph where each side of the vertices has its own intrinsic structure. We propose a new optimization framework to map the two sides of the intrinsic structures onto the manifold structure of the edges via a graph product…