OpenRaiser/Intern-Atlas huggingface dataset:
Regularized Conditional Diffusion Model for Multi-Task Preference Alignment
Venue: Conference NeurIPS 2024
Year: 2024

Sequential decision-making is desired to align with human intents and exhibit versatility across various tasks. Previous methods formulate it as a conditional generation process, utilizing return-conditioned diffusion models to directly model trajectory distributions. Nevertheless, the return-conditioned paradigm relies on pre-defined reward functions, facing challenges when applied in multi-task settings characterized by varying reward functions (versatility) and showing limited controllability concerning human preferences (alignment). In this work, we adopt multi-task preferences as a unified condition for both single- and multi-task decision-making, and propose preference representations aligned with preference labels. The learned representations are used to guide the conditional generation process of diffusion models, and we introduce an auxiliary objective to maximize the mutual information between representations and corresponding generated trajectories, improving alignment between trajectories and preferences. Extensive experiments in D4RL and Meta-World demonstrate that our method presents favorable performance in single- and multi-task scenarios, and exhibits superior alignment with preferences.
MiniCache: KV Cache Compression in Depth Dimension for Large Language Models
Venue: Conference NeurIPS 2024
Year: 2024

A critical approach for efficiently deploying computationally demanding large language models (LLMs) is Key-Value (KV) caching. The KV cache stores key-value states of previously generated tokens, significantly reducing the need for repetitive computations and thereby lowering latency in autoregressive generation. However, the size of the KV cache grows linearly with sequence length, posing challenges for applications requiring long context input and extensive sequence generation. In this paper, we present a simple yet effective approach, called MiniCache, to compress the KV cache across layers from a novel depth perspective, significantly reducing the memory footprint for LLM inference. Our approach is based on the observation that KV cache states exhibit high similarity between the adjacent layers in the middle-to-deep portion of LLMs. To facilitate merging, we propose disentangling the states into the magnitude and direction components, interpolating the directions of the state vectors while preserving their lengths unchanged. Furthermore, we introduce a token retention strategy to keep highly distinct state pairs unmerged, thus preserving the information with minimal additional storage overhead. Our MiniCache is training-free and general, complementing existing KV cache compression strategies, such as quantization and sparsity. We conduct a comprehensive evaluation of MiniCache utilizing various models including LLaMA-2, LLaMA-3, Phi-3, Mistral, and Mixtral across multiple benchmarks, demonstrating its exceptional performance in achieving superior compression ratios and high throughput. On the ShareGPT dataset, LLaMA-2-7B with 4-bit MiniCache achieves a remarkable compression ratio of up to 5.02x, enhances inference throughput by approximately 5x, and reduces the memory footprint by 41% compared to the FP16 full cache baseline, all while maintaining near-lossless performance.
Neural Localizer Fields for Continuous 3D Human Pose and Shape Estimation
Venue: Conference NeurIPS 2024
Year: 2024

With the explosive growth of available training data, single-image 3D human modeling is ahead of a transition to a data-centric paradigm. A key to successfully exploiting data scale is to design flexible models that can be supervised from various heterogeneous data sources produced by different researchers or vendors. To this end, we propose a simple yet powerful paradigm for seamlessly unifying different human pose and shape-related tasks and datasets. Our formulation is centered on the ability -- both at training and test time -- to query any arbitrary point of the human volume, and obtain its estimated location in 3D. We achieve this by learning a continuous neural field of body point localizer functions, each of which is a differently parameterized 3D heatmap-based convolutional point localizer (detector). For generating parametric output, we propose an efficient post-processing step for fitting SMPL-family body models to nonparametric joint and vertex predictions. With this approach, we can naturally exploit differently annotated data sources including mesh, 2D/3D skeleton and dense pose, without having to convert between them, and thereby train large-scale 3D human mesh and skeleton estimation models that considerably outperform the state-of-the-art on several public benchmarks including 3DPW, EMDB, EHF, SSP-3D and AGORA.
Speaking Your Language: Spatial Relationships in Interpretable Emergent Communication
Venue: Conference NeurIPS 2024
Year: 2024

Effective communication requires the ability to refer to specific parts of an observation in relation to others. While emergent communication literature shows success in developing various language properties, no research has shown the emergence of such positional references. This paper demonstrates how agents can communicate about spatial relationships within their observations. The results indicate that agents can develop a language capable of expressing the relationships between parts of their observation, achieving over 90% accuracy when trained in a referential game which requires such communication. Using a collocation measure, we demonstrate how the agents create such references. This analysis suggests that agents use a mixture of non-compositional and compositional messages to convey spatial relationships. We also show that the emergent language is interpretable by humans. The translation accuracy is tested by communicating with the receiver agent, where the receiver achieves over 78% accuracy using parts of this lexicon, confirming that the interpretation of the emergent language was successful.
Topic-Conversation Relevance (TCR)  Dataset and Benchmarks
Venue: Conference NeurIPS 2024
Year: 2024

Workplace meetings are vital to organizational collaboration, yet a large percentage of meetings are rated as ineffective. To help improve meeting effectiveness by understanding if the conversation is on topic, we create a comprehensive Topic-Conversation Relevance (TCR) dataset that covers a variety of domains and meeting styles. The TCR dataset includes 1,500 unique meetings, 22 million words in transcripts, and over 15,000 meeting topics, sourced from both newly collected Speech Interruption Meeting (SIM) data and existing public datasets. Along with the text data, we also open source scripts to generate synthetic meetings or create augmented meetings from the TCR dataset to enhance data diversity. For each data source, benchmarks are created using GPT-4 to evaluate the model accuracy in understanding transcription-topic relevance.
Rapid Plug-in Defenders
Venue: Conference NeurIPS 2024
Year: 2024

In the realm of daily services, the deployment of deep neural networks underscores the paramount importance of their reliability. However, the vulnerability of these networks to adversarial attacks, primarily evasion-based, poses a concerning threat to their functionality. Common methods for enhancing robustness involve heavy adversarial training or leveraging learned knowledge from clean data, both necessitating substantial computational resources. This inherent time-intensive nature severely limits the agility of large foundational models to swiftly counter adversarial perturbations. To address this challenge, this paper focuses on the Rapid Plug-in Defender (RaPiD) problem, aiming to rapidly counter adversarial perturbations without altering the deployed model. Drawing inspiration from the generalization and the universal computation ability of pre-trained transformer models, we propose a novel method termed CeTaD (Considering Pre-trained Transformers as Defenders) for RaPiD, optimized for efficient computation. CeTaD strategically fine-tunes the normalization layer parameters within the defender using a limited set of clean and adversarial examples. Our evaluation centers on assessing CeTaD's effectiveness, transferability, and the impact of different components in scenarios involving one-shot adversarial examples. The proposed method is capable of rapidly adapting to various attacks and different application scenarios without altering the target model and clean training data. We also explore the influence of varying training data conditions on CeTaD's performance. Notably, CeTaD exhibits adaptability across differentiable service models and proves the potential of continuous learning.
TGB 2.0: A Benchmark for Learning on Temporal Knowledge Graphs and Heterogeneous Graphs
Venue: Conference NeurIPS 2024
Year: 2024

Multi-relational temporal graphs are powerful tools for modeling real-world data, capturing the evolving and interconnected nature of entities over time. Recently, many novel models are proposed for ML on such graphs intensifying the need for robust evaluation and standardized benchmark datasets. However, the availability of such resources remains scarce and evaluation faces added complexity due to reproducibility issues in experimental protocols. To address these challenges, we introduce Temporal Graph Benchmark 2.0 (TGB 2.0), a novel benchmarking framework tailored for evaluating methods for predicting future links on Temporal Knowledge Graphs and Temporal Heterogeneous Graphs with a focus on large-scale datasets, extending the Temporal Graph Benchmark. TGB 2.0 facilitates comprehensive evaluations by presenting eight novel datasets spanning five domains with up to 53 million edges. TGB 2.0 datasets are significantly larger than existing datasets in terms of number of nodes, edges, or timestamps. In addition, TGB 2.0 provides a reproducible and realistic evaluation pipeline for multi-relational temporal graphs. Through extensive experimentation, we observe that 1) leveraging edge-type information is crucial to obtain high performance, 2) simple heuristic baselines are often competitive with more complex methods, 3) most methods fail to run on our largest datasets, highlighting the need for research on more scalable methods.
Quantitative Convergences of Lie Group Momentum Optimizers
Venue: Conference NeurIPS 2024
Year: 2024

Explicit, momentum-based dynamics that optimize functions defined on Lie groups can be constructed via variational optimization and momentum trivialization. Structure preserving time discretizations can then turn this dynamics into optimization algorithms. This article investigates two types of discretization, Lie Heavy-Ball, which is a known splitting scheme, and Lie NAG-SC, which is newly proposed. Their convergence rates are explicitly quantified under $L$-smoothness and local strong convexity assumptions. Lie NAG-SC provides acceleration over the momentumless case, i.e. Riemannian gradient descent, but Lie Heavy-Ball does not. When compared to existing accelerated optimizers for general manifolds, both Lie Heavy-Ball and Lie NAG-SC are computationally cheaper and easier to implement, thanks to their utilization of group structure. Only gradient oracle and exponential map are required, but not logarithm map or parallel transport which are computational costly.
ZOPP: A Framework of Zero-shot Offboard Panoptic Perception for Autonomous Driving
Venue: Conference NeurIPS 2024
Year: 2024

Offboard perception aims to automatically generate high-quality 3D labels for autonomous driving (AD) scenes. Existing offboard methods focus on 3D object detection with closed-set taxonomy and fail to match human-level recognition capability on the rapidly evolving perception tasks. Due to heavy reliance on human labels and the prevalence of data imbalance and sparsity, a unified framework for offboard auto-labeling various elements in AD scenes that meets the distinct needs of perception tasks is not being fully explored. In this paper, we propose a novel multi-modal Zero-shot Offboard Panoptic Perception (ZOPP) framework for autonomous driving scenes. ZOPP integrates the powerful zero-shot recognition capabilities of vision foundation models and 3D representations derived from point clouds. To the best of our knowledge, ZOPP represents a pioneering effort in the domain of multi-modal panoptic perception and auto labeling for autonomous driving scenes. We conduct comprehensive empirical studies and evaluations on Waymo open dataset to validate the proposed ZOPP on various perception tasks. To further explore the usability and extensibility of our proposed ZOPP, we also conduct experiments in downstream applications. The results further demonstrate the great potential of our ZOPP for real-world scenarios.
An Offline Adaptation Framework for Constrained Multi-Objective Reinforcement Learning
Venue: Conference NeurIPS 2024
Year: 2024

In recent years, significant progress has been made in multi-objective reinforcement learning (RL) research, which aims to balance multiple objectives by incorporating preferences for each objective. In most existing studies, specific preferences must be provided during deployment to indicate the desired policies explicitly. However, designing these preferences depends heavily on human prior knowledge, which is typically obtained through extensive observation of high-performing demonstrations with expected behaviors. In this work, we propose a simple yet effective offline adaptation framework for multi-objective RL problems without assuming handcrafted target preferences, but only given several demonstrations to implicitly indicate the preferences of expected policies. Additionally, we demonstrate that our framework can naturally be extended to meet constraints on safety-critical objectives by utilizing safe demonstrations, even when the safety thresholds are unknown. Empirical results on offline multi-objective and safe tasks demonstrate the capability of our framework to infer policies that align with real preferences while meeting the constraints implied by the provided demonstrations.
MOTIVE: A Drug-Target Interaction Graph For Inductive Link Prediction
Venue: Conference NeurIPS 2024
Year: 2024

Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based assays such as Cell Painting can better capture complex DTI interactions. This paper introduces MOTIVE, a Morphological cOmpound Target Interaction Graph dataset comprising Cell Painting features for 11,000 genes and 3,600 compounds, along with their relationships extracted from seven publicly available databases. We provide random, cold-source (new drugs), and cold-target (new genes) data splits to enable rigorous evaluation under realistic use cases. Our benchmark results show that graph neural networks that use Cell Painting features consistently outperform those that learn from graph structure alone, feature-based models, and topological heuristics. MOTIVE accelerates both graph ML research and drug discovery by promoting the development of more reliable DTI prediction models. MOTIVE resources are available at https://github.com/carpenter-singh-lab/motive.
CARES: A Comprehensive Benchmark of Trustworthiness in Medical Vision Language Models
Venue: Conference NeurIPS 2024
Year: 2024

Artificial intelligence has significantly impacted medical applications, particularly with the advent of Medical Large Vision Language Models (Med-LVLMs), sparking optimism for the future of automated and personalized healthcare. However, the trustworthiness of Med-LVLMs remains unverified, posing significant risks for future model deployment. In this paper, we introduce CARES and aim to comprehensively evaluate the Trustworthiness of Med-LVLMs across the medical domain. We assess the trustworthiness of Med-LVLMs across five dimensions, including trustfulness, fairness, safety, privacy, and robustness. CARES comprises about 41K question-answer pairs in both closed and open-ended formats, covering 16 medical image modalities and 27 anatomical regions. Our analysis reveals that the models consistently exhibit concerns regarding trustworthiness, often displaying factual inaccuracies and failing to maintain fairness across different demographic groups. Furthermore, they are vulnerable to attacks and demonstrate a lack of privacy awareness. We publicly release our benchmark and code in https://cares-ai.github.io/.
A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences
Venue: Conference NeurIPS 2024
Year: 2024

Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these tasks. Several methods for high-dimensional continuous and categorical Bayesian optimization have been proposed recently. However, our survey of the field reveals highly heterogeneous experimental set-ups across methods and technical barriers for the replicability and application of published algorithms to real-world tasks. To address these issues, we develop a unified framework to test a vast array of high-dimensional Bayesian optimization methods and a collection of standardized black-box functions representing real-world application domains in chemistry and biology. These two components of the benchmark are each supported by flexible, scalable, and easily extendable software libraries (poli and poli-baselines), allowing practitioners to readily incorporate new optimization objectives or discrete optimizers. Project website: https://machinelearninglifescience.github.io/hdbo_benchmark
MKGL: Mastery of a Three-Word Language
Venue: Conference NeurIPS 2024
Year: 2024

Large language models (LLMs) have significantly advanced performance across a spectrum of natural language processing (NLP) tasks. Yet, their application to knowledge graphs (KGs), which describe facts in the form of triplets and allow minimal hallucinations, remains an underexplored frontier. In this paper, we investigate the integration of LLMs with KGs by introducing a specialized KG Language (KGL), where a sentence precisely consists of an entity noun, a relation verb, and ends with another entity noun. Despite KGL's unfamiliar vocabulary to the LLM, we facilitate its learning through a tailored dictionary and illustrative sentences, and enhance context understanding via real-time KG context retrieval and KGL token embedding augmentation. Our results reveal that LLMs can achieve fluency in KGL, drastically reducing errors compared to conventional KG embedding methods on KG completion. Furthermore, our enhanced LLM shows exceptional competence in generating accurate three-word sentences from an initial entity and interpreting new unseen terms out of KGs.
MatFormer: Nested Transformer for Elastic Inference
Venue: Conference NeurIPS 2024
Year: 2024

Foundation models are applied in a broad spectrum of settings with different inference constraints, from massive multi-accelerator clusters to resource-constrained standalone mobile devices. However, the substantial costs associated with training these models often limit the number of unique model sizes that can be offered. Consequently, practitioners are compelled to select a model that may not be optimally aligned with their specific latency and cost requirements. We present MatFormer, a novel Transformer architecture designed to provide elastic inference across diverse deployment constraints. MatFormer achieves this by incorporating a nested Feed Forward Network (FFN) block structure within a standard Transformer model. During training, we optimize the parameters of multiple nested FFN blocks with varying sizes, enabling the extraction of hundreds of accurate smaller models without incurring additional computational costs. We empirically validate the efficacy of MatFormer across different model classes (decoders and encoders) and modalities (language and vision), demonstrating its potential for real-world deployment. We show that a 850M decoder-only MatFormer language model (MatLM) allows us to extract multiple smaller models spanning from 582M to 850M parameters, each exhibiting better validation loss and one-shot downstream evaluations than independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from MatFormer can lead to significant reduction in inference latency. Project website: https://devvrit.github.io/matformer/
Reinforcement Learning Policy as Macro Regulator Rather than Macro Placer
Venue: Conference NeurIPS 2024
Year: 2024

In modern chip design, placement aims at placing millions of circuit modules, which is an essential step that significantly influences power, performance, and area (PPA) metrics. Recently, reinforcement learning (RL) has emerged as a promising technique for improving placement quality, especially macro placement. However, current RL-based placement methods suffer from long training times, low generalization ability, and inability to guarantee PPA results. A key issue lies in the problem formulation, i.e., using RL to place from scratch, which results in limits useful information and inaccurate rewards during the training process. In this work, we propose an approach that utilizes RL for the refinement stage, which allows the RL policy to learn how to adjust existing placement layouts, thereby receiving sufficient information for the policy to act and obtain relatively dense and precise rewards. Additionally, we introduce the concept of regularity during training, which is considered an important metric in the chip design industry but is often overlooked in current RL placement methods. We evaluate our approach on the ISPD 2005 and ICCAD 2015 benchmark, comparing the global half-perimeter wirelength and regularity of our proposed method against several competitive approaches. Besides, we test the PPA performance using commercial software, showing that RL as a regulator can achieve significant PPA improvements. Our RL regulator can fine-tune placements from any method and enhance their quality. Our work opens up new possibilities for the application of RL in placement, providing a more effective and efficient approach to optimizing chip design. Our code is available at \url{https://github.com/lamda-bbo/macro-regulator}.
UniTS: A Unified Multi-Task Time Series Model
Venue: Conference NeurIPS 2024
Year: 2024

Although pre-trained transformers and reprogrammed text-based LLMs have shown strong performance on time series tasks, the best-performing architectures vary widely across tasks, with most models narrowly focused on specific areas, such as time series forecasting. Unifying predictive and generative time series tasks within a single model remains challenging. We introduce UniTS, a unified multi-task time series model that utilizes task tokenization to integrate predictive and generative tasks into a single framework. UniTS employs a modified transformer block to capture universal time series representations, enabling transferability from a heterogeneous, multi-domain pre-training dataset-characterized by diverse dynamic patterns, sampling rates, and temporal scales-to a wide range of downstream datasets with varied task specifications and data domains. Tested on 38 datasets across human activity sensors, healthcare, engineering, and finance, UniTS achieves superior performance compared to 12 forecasting models, 20 classification models, 18 anomaly detection models, and 16 imputation models, including adapted text-based LLMs. UniTS also demonstrates strong few-shot and prompt capabilities when applied to new domains and tasks. In single-task settings, UniTS outperforms competitive task-specialized time series models. Code and datasets are available at https://github.com/mims-harvard/UniTS.