84 accepted papers
Scaling inference-time compute for Large Language Models (LLMs) has unlocked unprecedented reasoning capabilities. However, existing inference-time scaling methods typically rely on inefficient and suboptimal discrete search algorithms or trial-and-error prompting to improve the online policy. In th…
Augmented Reality (AR) navigation has emerged as a transformative tool for spatial intelligence, enabling users to interactively explore complex environments through wearable and mobile AR devices. However, current AR navigation systems struggle with low indoor localization accuracy, weak semantic u
Associative memory has long underpinned the design of sequential models. Beyond recall, humans reason by *projecting future states and selecting goal-directed actions*, a capability that modern language models increasingly require but do not natively encode. While prior work uses reinforcement learn…
Zero-shot object navigation tasks agents with locating target objects in unseen environments—a core capability of embodied intelligence. While recent vision-language navigation methods leverage Large Language Models (LLMs) for multimodal reasoning, they suffer from two key limitations: (1) semantic
Multi-turn human-AI collaboration is fundamental to deploying interactive services such as adaptive tutoring, conversational recommendation, and professional consultation. However, optimizing these interactions via reinforcement learning is hindered by the sparsity of verifiable intermediate rewards…
The deployment of Large Language Models (LLMs) in embodied agents creates an urgent need to measure their privacy awareness in the physical world. Existing evaluation methods, however, are confined to natural language based scenarios. To bridge this gap, we introduce EAPrivacy, a comprehensive evalu…
Knowledge editing (KE) is crucial for making precise modifications to factual knowledge within large language models (LLMs). Existing KE methods, however, are primarily designed for dense architectures, limiting their applicability to the increasingly popular sparse Mixture-of-Experts (MoE) models t…
In open-world intelligent systems, processing continuous sensory streams disrupted by heterogeneous degradation sources presents a fundamental challenge: reconciling the inherent tension between observational completeness and reconstruction fidelity. Methods that prioritize completeness by bridging …
Reinforcement learning (RL) with outcome-based rewards has achieved significant success in training large language model (LLM) agents for complex reasoning tasks. However, in active reasoning where agents need to strategically ask questions to acquire task-relevant information, we find that LLM agen…
Self-reflection enables language agents to iteratively refine solutions, yet often produces repetitive outputs that limit reasoning performance. Recent studies have attempted to address this limitation through various approaches, among which increasing reflective diversity has shown promise. Our emp…
Zeroth-order optimization has emerged as a promising approach for fine-tuning large language models on domain-specific data, particularly under differential privacy (DP) and memory constraints. While first-order methods have been extensively studied from a privacy perspective, the privacy analysis a…
Active reasoning requires large language models (LLMs) to interact with external sources and strategically gather information to solve problems. Central to this process is belief tracking: maintaining a coherent understanding of the problem state and the missing information toward the solution. Howe…
This paper presents RoboMatch, a novel unified teleoperation platform for mobile manipulation with an auto-matching network architecture, designed to tackle long-horizon tasks in dynamic environments. Our system enhances teleoperation performance, data collection efficiency, task accuracy, and opera…
Molecular dynamics (MD) simulations remain the gold standard for studying protein dynamics, but their computational cost limits access to biologically relevant timescales. Recent generative models have shown promise in accelerating simulations, yet they struggle with long-horizon generation due to a…
Large language models (LLMs) remain vulnerable to jailbreak attacks that bypass safety guardrails. Existing approaches overwhelmingly operate within the prompt-optimization paradigm; the resulting prompts typically retain malicious semantic signals that modern guardrails are primed to detect. In con…
Graph foundation models (GFMs) aim to reuse a single backbone across diverse graph domains, yet their transfer is often uneven and can exhibit negative transfer. While most prior work improves transfer through architectural or adaptation choices, we ask a data-centric question: *which properties of …
Compared to traditional neural networks with a single output channel, a multi-exit network has multiple exits that allow for early outputs from the model's intermediate layers, thus significantly improving computational efficiency while maintaining similar main task accuracy. Existing model stealing…
We study the Differential Privacy (DP) guarantee of hidden-state Noisy-SGD algorithms over a bounded domain. Standard privacy analysis for Noisy-SGD assumes all internal states are revealed, which leads to a divergent R\'enyi DP bound with respect to the number of iterations. Ye & Shokri (2022) and…
Learning with relational and network-structured data is increasingly vital in sensitive domains where protecting the privacy of individual entities is paramount. Differential Privacy (DP) offers a principled approach for quantifying privacy risks, with DP-SGD emerging as a standard mechanism for pri…
Machine unlearning techniques aim to mitigate unintended memorization in large language models (LLMs). However, existing approaches predominantly focus on the explicit removal of isolated facts, often overlooking latent inferential dependencies and the non-deterministic nature of knowledge within LL…
The efficacy of Large Language Models (LLMs) in long-context tasks is often hampered by the substantial memory footprint and computational demands of the Key-Value (KV) cache. Current compression strategies, including token eviction and learned projections, frequently lead to biased representations—
Large language models (LLMs) have recently been introduced to graph learning, aiming to extend their zero-shot generalization success to tasks where labeled graph data is scarce. Among these applications, inference over text-attributed graphs (TAGs) presents unique challenges: existing methods strug…
Modern large language models (LLMs) are inherently auto-regressive, requiring input to be serialized into flat sequences regardless of their structural dependencies. This serialization hinders the model’s ability to leverage structural inductive biases, especially in tasks such as retrieval-augmente…
Directed acyclic graphs (DAGs) serve as crucial data representations in domains such as hardware synthesis and compiler/program optimization for computing systems. DAG generative models facilitate the creation of synthetic DAGs, which can be used for benchmarking computing systems while preserving i…
The computational power required for training deep learning models has been skyrocketing in the past decade as they scale with big data, and has become a very expensive and scarce resource. Therefore, distributed training, which can leverage distributed available computational power, is vital for ef
Neural network pruning has emerged as a promising approach for deploying LLMs in low-resource scenarios while preserving downstream task performance. However, for the first time, we reveal that such pruning disrupts LLMs’ internal activation features crucial for lie detection, where probing classifi
Quantization enables efficient deployment of large language models (LLMs) in resource-constrained environments by significantly reducing memory and computation costs. While quantized LLMs often maintain performance on perplexity and zero-shot tasks, their impact on truthfulness—whether generating tr
Transformers rely on both content-based and position-based addressing mechanisms to make predictions, but existing positional encoding techniques often diminish the effectiveness of position-based addressing. Many current methods enforce rigid patterns in attention maps, limiting the ability to mode…
With the rapid development and deep integration of artificial intelligence and automation technologies, autonomous unmanned swarms dynamically organize into multiplex network structures based on diverse task requirements in adversarial environments. Frequent task variations lead to load imbalances a
In the era of foundation models, fine-tuning pre-trained models for specific downstream tasks has become crucial. This drives the need for robust fine-tuning methods to address challenges such as model overfitting and sparse labeling. Molecular graph foundation models (MGFMs) face unique difficultie…
Large Language Models (LLMs) demonstrate strong reasoning abilities but face limitations such as hallucinations and outdated knowledge. Knowledge Graph (KG)-based Retrieval-Augmented Generation (RAG) addresses these issues by grounding LLM outputs in structured external knowledge from KGs. However,…
Large language models (LLMs) have achieved promising results in tabular data generation. However, inherent historical biases in tabular datasets often cause LLMs to exacerbate fairness issues, particularly when multiple advantaged and protected features are involved. In this work, we introduce a uni
Large Language Models (LLMs) embed sensitive, human-generated data, prompting the need for unlearning methods. Although certified unlearning offers strong privacy guarantees, its restrictive assumptions make it unsuitable for LLMs, giving rise to various heuristic approaches typically assessed throu…
Structured State Space Models (SSMs) have emerged as alternatives to transformers. While SSMs are often regarded as effective in capturing long-sequence dependencies, we rigorously demonstrate that they are inherently limited by strong recency bias. Our empirical studies also reveal that this bias i…
Positional encodings (PEs) are essential for building powerful and expressive graph neural networks and graph transformers, as they effectively capture the relative spatial relationships between nodes. Although extensive research has been devoted to PEs in undirected graphs, PEs for directed graphs…
Large language models (LLMs) tend to follow maliciously crafted instructions to generate deceptive responses, posing safety challenges. How deceptive instructions alter the internal representations of LLM compared to truthful ones remains poorly understood beyond output analysis. To bridge this gap,
Multi-view graph clustering (MVGC) derives encouraging grouping results by seamlessly integrating abundant information inside heterogeneous data, and has captured surging focus recently. Nevertheless, the majority of current MVGC works involve at least one hyper-parameter, which not only requires…
``The right to be forgotten'' ensured by laws for user data privacy becomes increasingly important. Machine unlearning aims to efficiently remove the effect of certain data points on the trained model parameters so that it can be approximately the same as if one retrains the model from scratch. We p…
Graph diffusion, which iteratively propagates real-valued substances among the graph, is used in numerous graph/network-involved applications. However, releasing diffusion vectors may reveal sensitive linking information in the data such as transaction information in financial network data. However,…
Geometric deep learning (GDL) has gained significant attention in scientific fields, for its proficiency in modeling data with intricate geometric structures. Yet, very few works have delved into its capability of tackling the distribution shift problem, a prevalent challenge in many applications.…
Graph is a fundamental data structure to model interconnections between entities. Set, on the contrary, stores independent elements. To learn graph representations, current Graph Neural Networks (GNNs) primarily use message passing to encode the interconnections. In contrast, this paper introduces a…
Machine unlearning has raised significant interest with the adoption of laws ensuring the ``right to be forgotten''. Researchers have provided a probabilistic notion of approximate unlearning under a similar definition of Differential Privacy (DP), where privacy is defined as statistical indistingui…
This study introduces a novel transformer model optimized for large-scale point cloud processing in scientific domains such as high-energy physics (HEP) and astrophysics. Addressing the limitations of graph neural networks and standard transformers, our model integrates local inductive bias and achi…
Multiple Sequence Alignment (MSA) plays a pivotal role in unveiling the evolutionary trajectories of protein families. The accuracy of protein structure predictions is often compromised for protein sequences that lack sufficient homologous information to construct high-quality MSA. Although various…
Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two fundamental challenges: (1) *Non-uniqueness*: there are many dif…
Graph-based methods, pivotal for label inference over interconnected objects in many real-world applications, often encounter generalization challenges, if the graph used for model training differs significantly from the graph used for testing. This work delves into Graph Domain Adaptation (GDA) to…
Set representation has become ubiquitous in deep learning for modeling the inductive bias of neural networks that are insensitive to the input order. DeepSets is the most widely used neural network architecture for set representation. It involves embedding each set element into a latent space with d…
Fair machine learning seeks to mitigate model prediction bias against certain demographic subgroups such as elder and female. Recently, fair representation learning (FRL) trained by deep neural networks has demonstrated superior performance, whereby representations containing no demographic informa…
We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains plateau, focusing primarily on increasing model sizes rather tha…
Graph Neural Networks (GNNs) have proven to be highly effective in solving real-world learning problems that involve graph-structured data. However, GNNs can also inadvertently expose sensitive user information and interactions through their model predictions. To address these privacy concerns, Diff…
Aspect Sentiment Triplet Extraction (ASTE) is one of the compound tasks of fine-grained aspect-based sentiment analysis (ABSA), aiming at extracting the triplets of aspect terms, corresponding opinion terms and the associated sentiment orientation. Recent efforts in exploiting span-level semantic…
Hypergraph neural networks (HNNs) using neural networks to encode hypergraphs provide a promising way to model higher-order relations in data and further solve relevant prediction tasks built upon such higher-order relations. However, higher-order relations in practice contain complex patterns and a…
Efficient or near-zero-cost proxies were proposed recently to address the demanding computational issues of Neural Architecture Search (NAS) in designing deep neural networks (DNNs), where each candidate architecture network only requires one iteration of backpropagation. The values obtained from pr…
Point cloud data is ubiquitous in scientific fields. Recently, geometric deep learning (GDL) has been widely applied to solve prediction tasks with such data. However, GDL models are often complicated and hardly interpretable, which poses concerns to scientists who are to deploy these models in scie…
In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differen…
A general framework of unsupervised learning for combinatorial optimization (CO) is to train a neural network whose output gives a problem solution by directly optimizing the CO objective. Albeit with some advantages over traditional solvers, current frameworks optimize an averaged performance over…
Backdoor attacks aim to cause misclassification of a subject model by stamping a trigger to inputs. Backdoors could be injected through malicious training and naturally exist. Deriving backdoor trigger for a subject model is critical to both attack and defense. A popular trigger inversion method is…
Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to address this problem by using random node features or node…
Graph neural networks (GNNs) have drawn significant research attention recently, mostly under the setting of semi-supervised learning. When task-agnostic representations are preferred or supervision is simply unavailable, the auto-encoder framework comes in handy with a natural graph reconstruction…
Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models (graph neural networks in particular). They argue against inher…
Recent progress in few-shot learning promotes a more realistic cross-domain setting, where the source and target datasets are in different domains. Due to the domain gap and disjoint label spaces between source and target datasets, their shared knowledge is extremely limited. This encourages us to e…
Graph neural networks (GNNs) have shown superiority in many prediction tasks over graphs due to their impressive capability of capturing nonlinear relations in graph-structured data. However, for node classification tasks, often, only marginal improvement of GNNs has been observed in practice over t…
Using machine learning to solve combinatorial optimization (CO) problems is challenging, especially when the data is unlabeled. This work proposes an unsupervised learning framework for CO problems. Our framework follows the standard relaxation-plus-rounding approach and adopts neural networks to pa…
The topical domain generalization (DG) problem asks trained models to perform well on an unseen target domain with different data statistics from the source training domains. In computer vision, data augmentation has proven one of the most effective ways of better exploiting the source data to impro…
Understanding the semantic meaning of content on the web through the lens of entities and concepts has many practical advantages. However, when building large-scale entity extraction systems, practitioners are facing unique challenges involving finding the best ways to leverage the scale and variety…
In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not optimally trade-off their utility and integrate them in a ma…
Self-supervised learning of graph neural networks (GNN) is in great need because of the widespread label scarcity issue in real-world graph/network data. Graph contrastive learning (GCL), by training GNNs to maximize the correspondence between the representations of the same graph in its different a…
Most existing neural architecture search (NAS) algorithms are dedicated to and evaluated by the downstream tasks, e.g., image classification in computer vision. However, extensive experiments have shown that, prominent neural architectures, such as ResNet in computer vision and LSTM in natural langu…
Temporal networks serve as abstractions of many real-world dynamic systems. These networks typically evolve according to certain laws, such as the law of triadic closure, which is universal in social networks. Inductive representation learning of temporal networks should be able to capture such laws…
In this paper, we provide a theory of using graph neural networks (GNNs) for multi-node representation learning (where we are interested in learning a representation for a set of more than one node, such as link). We know that GNN is designed to learn single-node representations. When we want to lea…
Recently, hypergraphs have attracted a lot of attention due to their ability to capture complex relations among entities. The insurgence of hypergraphs has resulted in data of increasing size and complexity that exhibit interesting small-scale and local structure, e.g., small-scale communities and l…
Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation that encodes a rooted subtree around the center node. These…
Machine learning classifiers’ capability is largely dependent on the scale of available training data and limited by the model overfitting in data-scarce learning tasks. To address this problem, this work proposes a novel Meta Functional Learning (MFL) by meta-learning a generalisable functional mod…
Class-incremental learning (CIL) aims at continuously updating a trained model with new classes (plasticity) without forgetting previously learned old ones (stability). Contemporary studies resort to storing representative exemplars for rehearsal or preventing consolidated model parameters from drif…
Learning representations of sets of nodes in a graph is crucial for applications ranging from node-role discovery to link prediction and molecule classification. Graph Neural Networks (GNNs) have achieved great success in graph representation learning. However, expressive power of GNNs is limited by…
Representation learning of graph-structured data is challenging because both graph structure and node features carry important information. Graph Neural Networks (GNNs) provide an expressive way to fuse information from network structure and node features. However, GNNs are prone to adversarial atta…
We propose a hypergraph-based active learning scheme which we term $HS^2$; $HS^2$ generalizes the previously reported algorithm $S^2$ originally proposed for graph-based active learning with pointwise queries. Our $HS^2$ method can accommodate hypergraph structures and allows one to ask both pointwi…
Graph embedding has been intensively studied recently, due to the advance of various neural network models. Theoretical analyses and empirical studies have pushed forward the translation of discrete graph structures into distributed representation vectors, but seldom considered the reverse direction…
Landing probabilities (LP) of random walks (RW) over graphs encode rich information regarding graph topology. Generalized PageRanks (GPR), which represent weighted sums of LPs of RWs, utilize the discriminative power of LP features to enable many graph-based learning studies. Previous work in the ar…
We introduce a new convex optimization problem, termed quadratic decomposable submodular function minimization. The problem is closely related to decomposable submodular function minimization and arises in many learning on graphs and hypergraphs settings, such as graph-based semi-supervised learning…
We introduce a new approach to decomposable submodular function minimization (DSFM) that exploits incidence relations. Incidence relations describe which variables effectively influence the component functions, and when properly utilized, they allow for improving the convergence rates of DSFM solver…
We introduce submodular hypergraphs, a family of hypergraphs that have different submodular weights associated with different cuts of hyperedges. Submodular hypergraphs arise in cluster- ing applications in which higher-order structures carry relevant information. For such hypergraphs, we define the…
We propose a novel rank aggregation method based on converting permutations into their corresponding Lehmer codes or other subdiagonal images. Lehmer codes, also known as inversion vectors, are vector representations of permutations in which each coordinate can take values not restricted by the val…
Hypergraph partitioning is an important problem in machine learning, computer vision and network analytics. A widely used method for hypergraph partitioning relies on minimizing a normalized sum of the costs of partitioning hyperedges across clusters. Algorithmic solutions based on this approach ass…