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0e7c7d6c41c76b9ee6445ae01cc0181d-AuthorFeedback.pdf

Neural Information Processing Systems

We would like to thank all the reviewers for your helpful comments and suggestions. As shown in Appendix A.3, the layer-wise GCN network has the highest computational complexity in the computational propagation flow. We will revise the corresponding representations in Section 3.2 Please see the response in Common Response 2. In our paper, D = 64 was a default setting, with which the best performance is achieved in all the datasets. For fair comparison we only report the result on semi-supervised task. Please see the response in Common Response 2.


Conditional Synthesis of 3D Molecules with Time Correction Sampler 1

Neural Information Processing Systems

Diffusion models have demonstrated remarkable success in various domains, including molecular generation. However, conditional molecular generation remains a fundamental challenge due to an intrinsic trade-off between targeting specific chemical properties and generating meaningful samples from the data distribution.


What to Say and When to Say it: Live Fitness Coaching as a Testbed for Situated Interaction Sunny Panchal 1 Guillaume Berger 1 Antoine Mercier 1

Neural Information Processing Systems

Vision-language models have shown impressive progress in recent years. However, existing models are largely limited to turn-based interactions, where each turn must be stepped (i.e., prompted) by the user. Open-ended, asynchronous interactions, where an AI model may proactively deliver timely responses or feedback based on the unfolding situation in real-time, are an open challenge.



A Datasheet for Datasets

Neural Information Processing Systems

A.1 Motivation For what purpose was the dataset created? We create GTA (a benchmark for General Tool Agents) to evaluate the general tool-use ability of LLMs in real-world scenarios. The benchmark has human-written queries with simple real-world objectives but implicit tool-use, an evaluation platform equipped with executable tools across diverse categories, and authentic image files as context input. Who created the dataset (e.g., which team, research group) and on behalf of which entity (e.g., company, institution, organization)? Who funded the creation of the dataset? This work is supported by the National Key R&D Program of China (No. 2022ZD0161600), and the National Natural Science Foundation of China under Grants 62422311 and 62176152. A.2 Composition What do the instances that comprise the dataset represent (e.g., documents, photos, people, countries)? Each instance in GTA is in the JSON format. It contains natural language queries, image file inputs, tool descriptions, a reference tool chain, and a final answer. How many instances are there in total (of each type, if appropriate)? There are 229 instances in GTA, with 252 image files. Does the dataset contain all possible instances or is it a sample (not necessarily random) of instances from a larger set? We will provide all instances in our GitHub repository for GTA. What data does each instance consist of? Each instance contains a natural language query, image file inputs, tool descriptions, a reference tool chain, and a final answer. Is there a label or target associated with each instance?


GTA: A Benchmark for General Tool Agents Jize Wang 1,2 Zerun Ma2 Yining Li2

Neural Information Processing Systems

Significant focus has been placed on integrating large language models (LLMs) with various tools in developing general-purpose agents. This poses a challenge to LLMs' tool-use capabilities. However, there are evident gaps between existing tool-use evaluations and real-world scenarios. Current evaluations often use AIgenerated queries, single-step tasks, dummy tools, and text-only interactions, failing to effectively reveal the agents' real-world problem-solving abilities. To address this, we propose GTA, a benchmark for General Tool Agents, featuring three main aspects: (i) Real user queries: human-written queries with simple real-world objectives but implicit tool-use, requiring the LLM to reason the suitable tools and plan the solution steps.


Pricing and Competition for Generative AI

Neural Information Processing Systems

Compared to classical machine learning (ML) models, generative models offer a new usage paradigm where (i) a single model can be used for many different tasks out-of-the-box; (ii) users interact with this model over a series of natural language prompts; and (iii) the model is ideally evaluated on binary user satisfaction with respect to model outputs. Given these characteristics, we explore the problem of how developers of new generative AI software can release and price their technology. We first develop a comparison of two different models for a specific task with respect to user cost-effectiveness. We then model the pricing problem of generative AI software as a game between two different companies who sequentially release their models before users choose their preferred model for each task. Here, the price optimization problem becomes piecewise continuous where the companies must choose a subset of the tasks on which to be cost-effective and forgo revenue for the remaining tasks. In particular, we reveal the value of market information by showing that a company who deploys later after knowing their competitor's price can always secure cost-effectiveness on at least one task, whereas the company who is the first-to-market must price their model in a way that incentivizes higher prices from the latecomer in order to gain revenue. Most importantly, we find that if the different tasks are sufficiently similar, the first-to-market model may become cost-ineffective on all tasks regardless of how this technology is priced.


Assouad, Fano, and Le Cam with Interaction: A Unifying Lower Bound Framework and Characterization for Bandit Learnability Fan Chen Dylan J. Foster Yanjun Han MIT Microsoft Research New York University

Neural Information Processing Systems

We develop a unifying framework for information-theoretic lower bound in statistical estimation and interactive decision making. Classical lower bound techniques--such as Fano's method, Le Cam's method, and Assouad's lemma-- are central to the study of minimax risk in statistical estimation, yet are insufficient to provide tight lower bounds for interactive decision making algorithms that collect data interactively (e.g., algorithms for bandits and reinforcement learning). Recent work of Foster et al. [40, 42] provides minimax lower bounds for interactive decision making using seemingly different analysis techniques from the classical methods. These results--which are proven using a complexity measure known as the Decision-Estimation Coefficient (DEC)--capture difficulties unique to interactive learning, yet do not recover the tightest known lower bounds for passive estimation. We propose a unified view of these distinct methodologies through a new lower bound approach called interactive Fano method. As an application, we introduce a novel complexity measure, the Fractional Covering Number, which facilitates the new lower bounds for interactive decision making that extend the DEC methodology by incorporating the complexity of estimation. Using the fractional covering number, we (i) provide a unified characterization of learnability for any stochastic bandit problem, (ii) close the remaining gap between the upper and lower bounds in Foster et al. [40, 42] (up to polynomial factors) for any interactive decision making problem in which the underlying model class is convex.


From Biased to Unbiased Dynamics: An Infinitesimal Generator Approach

Neural Information Processing Systems

We investigate learning the eigenfunctions of evolution operators for time-reversal invariant stochastic processes, a prime example being the Langevin equation used in molecular dynamics. Many physical or chemical processes described by this equation involve transitions between metastable states separated by high potential barriers that can hardly be crossed during a simulation. To overcome this bottleneck, data are collected via biased simulations that explore the state space more rapidly. We propose a framework for learning from biased simulations rooted in the infinitesimal generator of the process and the associated resolvent operator. We contrast our approach to more common ones based on the transfer operator, showing that it can provably learn the spectral properties of the unbiased system from biased data. In experiments, we highlight the advantages of our method over transfer operator approaches and recent developments based on generator learning, demonstrating its effectiveness in estimating eigenfunctions and eigenvalues. Importantly, we show that even with datasets containing only a few relevant transitions due to sub-optimal biasing, our approach recovers relevant information about the transition mechanism.